Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9640639

CC(C)(C)NCC(O)c1cccc(Cl)c1.Cl

nearest known ligand 0.63

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 Hydrochloric Acid. 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
ADRB1 known ✓ P08588 3/20 0.55
HTR1A known ✓ P08908 1/20 0.55
SLC6A2 known ✓ P23975 1/20 0.55
SLC6A4 known ✓ P31645 1/20 0.55
ADRA1A known ✓ P35348 1/20 0.55
OPRK1 known ✓ P41145 1/20 0.55
SLC6A3 known ✓ Q01959 1/20 0.55
ADRB3 known ✓ P13945 1/20 0.55
LMNA P02545 3/20 0.57
CYP3A4 P08684 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 3/20 0.55
BLM P54132 1/20 0.55
HIF1A Q16665 3/20 0.55
CYP2D6 P10635 2/20 0.55
NFKB1 P19838 2/20 0.55
CYP1A2 P05177 1/20 0.55
SLC2A1 P11166 1/20 0.54

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
SCHEMBL9640850 0.98 ADRB2 (0.56) LMNACYP3A4KDM4ETDP1ADRB2
SCHEMBL4656006 0.86 ADRB3 (0.60) LMNAADRB2ADRB1ADRB3SLC2A1
Hydrochloric Acid SCHEMBL10614347 0.83 LMNA (0.69) LMNACYP3A4KDM4ETDP1ADRB2
SCHEMBL6017681 0.83 ADRB3 (0.48) ADRB2TSHRADRB1HTR1ASLC6A2
Hydrochloric Acid SCHEMBL10614245 0.83 HIF1A (0.69) LMNACYP3A4KDM4ETDP1ADRB2
SCHEMBL10614354 0.82 ADRB2 (0.68) LMNACYP3A4KDM4ETDP1ADRB2
Hydrochloric Acid SCHEMBL31010913 0.81 TDP1 (0.54) LMNACYP3A4KDM4ETDP1ADRB2
SCHEMBL6010824 0.81 HIF1A (0.70) LMNACYP3A4KDM4ETDP1ADRB2
SCHEMBL9641345 0.80 ADRB2 (0.65) LMNAADRB2ADRB1ADRB3SLC2A1
SCHEMBL16679636 0.80 ADRB1 (0.67) LMNACYP3A4KDM4ETDP1ADRB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290122-B1 MORPHOLINE DERIVATIVES AND THEIR USE BEECHAM GROUP PLC (GB) 1992-12-23 EP disclosed
US-5082840-A Animal growth regulators BEECHAM GROUP P.L.C. (GB) 1992-01-21 US disclosed
US-4914202-A FOR IMPROVING FEED EFFICIENCY IN LIVESTOCK BEECHAM GROUP P.L.C. (GB) 1990-04-03 US disclosed
EP-0290122-A1 Morpholine derivatives and their use BEECHAM GROUP PLC (GB) 1988-11-09 EP disclosed