Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7938726

C#CCN(CC#C)C1CCc2cccc(OC)c2C1.Cl

nearest known ligand 0.70

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 9)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.63
CHRM1 known ✓ P11229 1/20 0.63
CHRM3 known ✓ P20309 1/20 0.63
DRD2 known ✓ P14416 4/20 0.57
DRD4 known ✓ P21917 3/20 0.57
DRD3 known ✓ P35462 3/20 0.57
HTR1A known ✓ P08908 1/20 0.52
HTR1D known ✓ P28221 1/20 0.52
HTR1B known ✓ P28222 1/20 0.52

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
SCHEMBL8675787 0.99 CHRM2 (0.64) CHRM2CHRM1CHRM3DRD2DRD4
SCHEMBL8925229 0.90 DRD2 (0.67) CHRM2CHRM1CHRM3DRD2DRD4
Hydrochloric Acid SCHEMBL7938677 0.89 CHRM2 (0.65) CHRM2CHRM1CHRM3DRD2DRD4
SCHEMBL8892571 0.82 DRD2 (0.82) CHRM2CHRM1CHRM3DRD2DRD4
Hydrochloric Acid SCHEMBL9355015 0.82 DRD2 (0.81) DRD2DRD4DRD3HTR1AHTR1D
SCHEMBL2218622 0.80 DRD2 (0.82) CHRM2CHRM1CHRM3DRD2DRD4
SCHEMBL9558839 0.80 CHRM2 (0.68) CHRM2CHRM1CHRM3DRD2DRD4
Hydrochloric Acid SCHEMBL7936577 0.80 CHRM2 (0.63) CHRM2CHRM1CHRM3DRD2DRD4
SCHEMBL7926554 0.79 CHRM2 (0.66) CHRM2CHRM1CHRM3DRD2DRD4
Hydrochloric Acid SCHEMBL9355854 0.78 CHRM2 (0.73) CHRM2CHRM1CHRM3DRD2DRD4

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
US-6331636-B1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, DIABETES, HYPERTENSION, IMPOTENCY, APPETITE CONTROL THE UPJOHN COMPANY 2001-12-18 US disclosed
US-5545755-A USEFUL TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS, HYPERTENSION, DIABETES, SEXUAL IMPOTENCY AND TO CONTROL APPETITE THE UPJOHN COMPANY (US) 1996-08-13 US disclosed
EP-0476016-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1992-03-25 EP disclosed
WO-1990015047-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1990-12-13 WO disclosed