Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9681701

CCOC(=O)C1=C(C)NC(CNC)=C(C(=O)OCC)C1c1ccccc1C=C(CC)C(=O)OC(C)(C)C.Cl

nearest known ligand 0.58

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
SLC6A2 known ✓ P23975 3/20 0.58
DRD3 known ✓ P35462 3/20 0.58
KCNH2 known ✓ Q12809 3/20 0.58
OPRK1 known ✓ P41145 3/20 0.58
PDE4D known ✓ Q08499 2/20 0.58
ADRA1A known ✓ P35348 3/20 0.42
SLC6A3 known ✓ Q01959 3/20 0.42
HTR1A known ✓ P08908 2/20 0.42
ADRA2A known ✓ P08913 2/20 0.42
CHRM1 known ✓ P11229 2/20 0.42
DRD1 known ✓ P21728 2/20 0.42
OPRM1 known ✓ P35372 2/20 0.42
ADRB3 known ✓ P13945 2/20 0.42
SCN5A known ✓ Q14524 2/20 0.42
ADRB2 known ✓ P07550 1/20 0.42
DRD2 known ✓ P14416 1/20 0.42
ADRA2C known ✓ P18825 1/20 0.42
HRH2 known ✓ P25021 1/20 0.42
ADRA1D known ✓ P25100 1/20 0.42
HTR2A known ✓ P28223 1/20 0.42

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 SCHEMBL9681494 0.92 ADORA3 (0.50) CYP2C9SLC6A2DRD3KCNH2ADORA3
Hydrochloric Acid SCHEMBL9681497 0.92 ADORA3 (0.50) CYP2C9SLC6A2DRD3KCNH2ADORA3
SCHEMBL9680626 0.91 ADORA3 (0.51) CYP2C9SLC6A2DRD3KCNH2ADORA3
SCHEMBL9681535 0.91 ADORA3 (0.51) CYP2C9SLC6A2DRD3KCNH2ADORA3
Bromide SCHEMBL9680618 0.90 ADORA3 (0.50) CYP2C9SLC6A2DRD3KCNH2ADORA3
Bromide SCHEMBL9680616 0.90 ADORA3 (0.50) CYP2C9SLC6A2DRD3KCNH2ADORA3
Hydrochloric Acid SCHEMBL9681587 0.89 ADORA3 (0.47) CYP2C9SLC6A2DRD3KCNH2ADORA3
Formic Acid SCHEMBL9680018 0.89 ADORA3 (0.48) CYP2C9SLC6A2DRD3KCNH2ADORA3
Formic Acid SCHEMBL9680016 0.89 ADORA3 (0.48) CYP2C9SLC6A2DRD3KCNH2ADORA3
SCHEMBL9681591 0.88 ADORA3 (0.48) CYP2C9SLC6A2DRD3KCNH2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162345-A Dihydropyridinedicarboxylate Derivatives GLAXO, S.P.A. (IT) 1992-11-10 US disclosed