Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10867337

CCOC(=O)OC1=C(O)CCN(CCc2c[nH]c3ccccc23)C1.Cl

nearest known ligand 0.47

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
▸ HTR2A known ✓ P28223 2/20 0.47
▸ DRD2 known ✓ P14416 2/20 0.46
▸ DRD3 known ✓ P35462 2/20 0.46
▸ HTR1A known ✓ P08908 2/20 0.46
▸ SLC6A4 known ✓ P31645 1/20 0.46
▸ HTR7 known ✓ P34969 1/20 0.46
▸ HRH1 known ✓ P35367 1/20 0.46
▸ HDAC8 known ✓ Q9BY41 1/20 0.44
▸ HDAC6 known ✓ Q9UBN7 1/20 0.44
▸ DRD4 known ✓ P21917 1/20 0.44
▸ ADRA2A known ✓ P08913 1/20 0.43
▸ ADRA2B known ✓ P18089 1/20 0.43
▸ ADRA2C known ✓ P18825 1/20 0.43
▸ ADRA1D known ✓ P25100 1/20 0.43
▸ ADRA1A known ✓ P35348 1/20 0.43
▸ ADRA1B known ✓ P35368 1/20 0.43
▸ HDAC1 known ✓ Q13547 1/20 0.42
▸ GLA known ✓ P06280 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL10868177 0.94 HTR2A (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL10867806 0.90 HTR2A (0.49) SMN1; SMN2CYP1A2CYP2C19HTR2ADRD2
SCHEMBL10871125 0.90 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10871232 0.89 HTR2A (0.50) SMN1; SMN2CYP1A2CYP2C19HTR2ADRD2
SCHEMBL10866946 0.89 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10867330 0.86 MTNR1A (0.45) HTR2ADRD2DRD3HTR1ADRD4
SCHEMBL10867747 0.86 MPO (0.53) CYP3A4CYP2D6CYP2C9HTR1ASLC6A4
SCHEMBL10866637 0.86 SLC6A4 (0.49) HTR2AHTR1ASLC6A4
SCHEMBL10868220 0.85 HTR2A (0.56) CYP1A2CYP3A4CYP2D6HTR2AHTR1A
Hydrochloric Acid SCHEMBL10867944 0.85 HTR1A (0.53) HTR2ADRD2DRD3HTR1ASLC6A4

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
EP-0187122-A2 1,3,4-Trisubstituted azacycloalkanes or azacycloalkenes CIBA-GEIGY AG (CH) 1986-07-09 — — EP disclosed
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