Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9844550

CCOC(=O)CCCN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.Cl

nearest known ligand 0.51

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
DRD3 known ✓ P35462 2/20 0.51
CHRM2 known ✓ P08172 1/20 0.51
HTR1A known ✓ P08908 1/20 0.51
ADRA2A known ✓ P08913 1/20 0.51
CHRM1 known ✓ P11229 1/20 0.51
DRD1 known ✓ P21728 1/20 0.51
SLC6A2 known ✓ P23975 1/20 0.51
SLC6A4 known ✓ P31645 1/20 0.51
ADRA1A known ✓ P35348 1/20 0.51
OPRM1 known ✓ P35372 1/20 0.51
SLC6A3 known ✓ Q01959 1/20 0.51
KCNH2 known ✓ Q12809 1/20 0.51
HTR4 known ✓ Q13639 1/20 0.40
BCHE known ✓ P06276 1/20 0.39
HRH1 known ✓ P35367 1/20 0.38
DRD2 known ✓ P14416 1/20 0.38
GAA known ✓ P10253 1/20 0.37
SETD7 Q8WTS6 3/20 0.51
CYP2C19 P33261 2/20 0.51
ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL7682654 0.87 FNTA (0.50) SETD7CYP2C19DRD3CHRM2HTR1A
Hydrochloric Acid SCHEMBL9718707 0.87 HRH1 (0.51) SETD7DRD3CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL9133954 0.86 SETD7 (0.62) SETD7CYP2C19DRD3CHRM2HTR1A
SCHEMBL9718794 0.84 SETD7 (0.63) SETD7CYP2C19DRD3CHRM2HTR1A
Hydrochloric Acid SCHEMBL9844493 0.84 CYP3A4 (0.57) SETD7CYP2C19DRD3CHRM2HTR1A
Hydrochloric Acid SCHEMBL9718726 0.83 HRH1 (0.50) SETD7DRD3CHRM2HTR1AADRA2A
SCHEMBL9844283 0.83 CYP3A4 (0.58) SETD7CYP2C19DRD3CHRM2HTR1A
Hydrochloric Acid SCHEMBL9718731 0.83 SETD7 (0.64) SETD7CYP2C19DRD3CHRM2HTR1A
Hydrochloric Acid SCHEMBL9718756 0.81 KCNH2 (0.49) SETD7DRD3KCNH2NOTUMHTR4
SCHEMBL7679490 0.80 FNTA (0.52) SETD7CYP2C19DRD3CHRM2HTR1A

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-0451772-A1 Piperidine compounds, method for preparation thereof, and a pharamceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-10-16 EP disclosed