Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9348704

CNC(=O)Oc1ccc(C(Cl)CN)cc1OC(=O)C(C)C.Cl

nearest known ligand 0.46

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 2/20 0.46
ADRA2A known ✓ P08913 1/20 0.46
DRD2 known ✓ P14416 1/20 0.46
ADRA2C known ✓ P18825 1/20 0.46
DRD1 known ✓ P21728 1/20 0.46
ADRA1A known ✓ P35348 1/20 0.46
DRD3 known ✓ P35462 1/20 0.46
ACHE known ✓ P22303 3/20 0.40
BCHE known ✓ P06276 2/20 0.35
ROCK2 known ✓ O75116 1/20 0.33
PTGS1 known ✓ P23219 1/20 0.33
PTGS2 known ✓ P35354 1/20 0.33
FGFR1 known ✓ P11362 1/20 0.33
GAA known ✓ P10253 1/20 0.32
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37

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
Hydrochloric Acid SCHEMBL9696026 0.83 ALOX15 (0.44) ADRB2ADRA2ADRD2ADRA2CDRD1
Hydrochloric Acid SCHEMBL9346133 0.81 ALOX15 (0.44) ADRB2ADRA2ADRD2ADRA2CDRD1
Hydrochloric Acid SCHEMBL9695999 0.81 ALOX15 (0.44) ADRB2ADRA2ADRD2ADRA2CDRD1
Hydrochloric Acid SCHEMBL9348921 0.78 ALOX15 (0.39) ADRB2ADRA2ADRD2ADRA2CDRD1
Hydrochloric Acid SCHEMBL9346052 0.73 ADRB2 (0.85) ADRB2ADRA2ADRD2ADRA2CDRD1
Hydrochloric Acid SCHEMBL9346070 0.73 ADRB2 (0.48) ADRB2ADRA2ADRD2ADRA2CDRD1
Hydrochloric Acid SCHEMBL9345998 0.73 ADRB2 (0.48) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL15547407 0.71 ALOX15 (0.58) ADRB2ADRA2ADRD2ADRA2CDRD1
Dibutepinephrine SCHEMBL20141839 0.70 HIF1A (0.69) ADRB2ADRA2ADRD2ADRA2CDRD1
Hydrochloric Acid SCHEMBL10438187 0.69 ADRB2 (0.38) ADRB2ADRA2ADRD2ADRA2CDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393782-B1 Catecholamine esters ZAMBON SPA (IT) 1994-08-03 EP disclosed
US-5144059-A CATECHOLAMINE ESTERS SIMES SOCIETA ITALIANA MEDICINALI E. SINTETICI S.A. (IT) 1992-09-01 US disclosed