Ethylnorepinephrine

Ethylnorepinephrine

SCHEMBL521301

CCC(N)C(O)c1ccc(O)c(O)c1.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Ethylnorepinephrine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 5/20 0.55
PTGS2 known ✓ P35354 2/20 0.55
OPRK1 known ✓ P41145 1/20 0.55
SLC6A3 known ✓ Q01959 1/20 0.55
ADRA1A known ✓ P35348 2/20 0.53
PTGS1 known ✓ P23219 1/20 0.53
ADRB1 known ✓ P08588 1/20 0.50
ADRA2A known ✓ P08913 1/20 0.50
ADRB3 known ✓ P13945 1/20 0.50
DRD2 known ✓ P14416 1/20 0.50
ADRA2B known ✓ P18089 1/20 0.50
ADRA2C known ✓ P18825 1/20 0.50
DRD1 known ✓ P21728 1/20 0.50
ADRA1D known ✓ P25100 1/20 0.50
ADRA1B known ✓ P35368 1/20 0.50
GAA known ✓ P10253 1/20 0.49
KDM4E B2RXH2 9/20 1.00
TDP1 Q9NUW8 8/20 1.00
MAPK1 P28482 3/20 1.00
RECQL P46063 6/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ethylnorepinephrine SCHEMBL75742 1.00 KDM4E (1.00) KDM4ETDP1MAPK1RECQLMAPT
Ethylnorepinephrine SCHEMBL29711047 0.98 TDP1 (0.96) KDM4ETDP1MAPK1RECQLMAPT
Ethylnorepinephrine SCHEMBL249736 0.98 TDP1 (0.96) KDM4ETDP1MAPK1RECQLMAPT
Hydrochloric Acid SCHEMBL10924534 0.84 TDP1 (0.72) KDM4ETDP1MAPK1RECQLMAPT
SCHEMBL10802005 0.81 TDP1 (0.69) KDM4ETDP1MAPK1RECQLMAPT
Ethylnorepinephrine SCHEMBL3130770 0.80 KDM4E (0.64) KDM4ETDP1MAPK1RECQLMAPT
Levonordefrin SCHEMBL363800 0.79 KDM4E (1.00) KDM4ETDP1MAPK1RECQLMAPT
Nordefrin SCHEMBL5060952 0.79 KDM4E (1.00) KDM4ETDP1MAPK1RECQLMAPT
Nordefrin SCHEMBL316522 0.79 KDM4E (1.00) KDM4ETDP1MAPK1RECQLMAPT
SCHEMBL18159498 0.78 KDM4E (0.64) KDM4ETDP1MAPK1RECQLMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029085-A1 STABILIZATION OF QUINOL COMPOSITION SUCH AS CATECHOLAMINE DRUGS MACKAY JON (US) 2012-02-02 US claimed
CN-101506159-A Compounds having CRTH2 antagonist activity OXAGEN LTD (GB) 2009-08-12 CN claimed
CN-110177780-A Pyrimidine compound containing acidic groups 阿普罗斯治疗公司 2019-08-27 CN disclosed
CN-101489575-B FKBP-L and use thereof ALMAC DISCOVERY LTD 2013-08-28 CN disclosed
CN-103012376-A Amide derivatives ASTRAZENECA AB 2013-04-03 CN disclosed
CN-101506159-B Compounds having CRTH2 antagonist activity OXAGEN LTD 2012-08-22 CN disclosed
US-20120029085-A1 STABILIZATION OF QUINOL COMPOSITION SUCH AS CATECHOLAMINE DRUGS MACKAY JON (US) 2012-02-02 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
CN-1918134-B Amide derivatives with cyclopropylaminocarbonyl substituents as cytokine inhibitors ASTRAZENECA AB (SE) 2010-11-10 CN disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
CN-101687932-A Binding members for ige molecules ASTRAZENECA AB 2010-03-31 CN disclosed
CN-101675079-A Binding members for ige molecules ASTRAZENECA AB 2010-03-17 CN disclosed
CN-101506159-A Compounds having CRTH2 antagonist activity OXAGEN LTD (GB) 2009-08-12 CN disclosed
CN-101489575-A FKBP-L and use thereof ALMAC DISCOVERY LTD (GB) 2009-07-22 CN disclosed
CN-1918134-A Amide derivatives with cyclopropylaminocarbonyl substituents as cytokine inhibitors ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
CN-1898216-A Amide derivatives ASTRAZENECA AB (SE) 2007-01-17 CN disclosed
CN-1732006-A 3-(3,5-dioxo-4,5-dihydro-3h-(1,2,4)triazin-2-yl)-benzamide derivatives as P2X7-inhibitors for the treatment of inflammatory diseases PFIZER PROD INC (US) 2006-02-08 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120029085-A1 STABILIZATION OF QUINOL COMPOSITION SUCH AS CATECHOLAMINE DRUGS ADRA2C, ADRB2, ADRB1 ADRB2 2/4885PTGS2 502/4885OPRK1 66/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.