Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9639708

COc1ccc2c(N3CCNCC3)cccc2c1.Cl

nearest known ligand 0.78

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
HTR1A known ✓ P08908 7/20 0.59
HTR3A known ✓ P46098 7/20 0.59
HTR6 known ✓ P50406 4/20 0.59
HTR3E known ✓ A5X5Y0 3/20 0.59
HTR3B known ✓ O95264 3/20 0.59
HTR3D known ✓ Q70Z44 3/20 0.59
HTR3C known ✓ Q8WXA8 3/20 0.59
HTR1D known ✓ P28221 2/20 0.59
HTR1B known ✓ P28222 2/20 0.59
HTR7 known ✓ P34969 2/20 0.59
HTR5A known ✓ P47898 2/20 0.59
SIGMAR1 known ✓ Q99720 2/20 0.59
HTR2A known ✓ P28223 1/20 0.59
ADRB1 known ✓ P08588 2/20 0.56
DRD2 known ✓ P14416 1/20 0.50
DRD3 known ✓ P35462 1/20 0.50
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61

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
SCHEMBL5366747 0.99 HTR1A (0.60) LMNAKDM4EALDH1A1HPGDPMP22
Hydrochloric Acid SCHEMBL5253513 0.89 HTR5A (0.62) LMNAKDM4EALDH1A1HPGDPMP22
SCHEMBL1738849 0.87 HTR5A (0.63) LMNAKDM4EALDH1A1HPGDPMP22
SCHEMBL27635274 0.79 HTR6 (0.50) LMNAKDM4EALDH1A1HPGDPMP22
SCHEMBL6959807 0.77 HTR6 (0.72) LMNAKDM4EALDH1A1HPGDPMP22
Hydrochloric Acid SCHEMBL25379293 0.77 LMNA (1.00) LMNAKDM4EALDH1A1HPGDPMP22
Hydrochloric Acid SCHEMBL27664894 0.77 LMNA (1.00) LMNAKDM4EALDH1A1HPGDPMP22
Hydrochloric Acid SCHEMBL466870 0.77 LMNA (1.00) LMNAKDM4EALDH1A1HPGDPMP22
SCHEMBL5369021 0.77 HTR6 (0.66) LMNAKDM4EALDH1A1HPGDPMP22
SCHEMBL5369264 0.77 HTR6 (0.66) LMNAKDM4EALDH1A1HPGDPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166157-A Analgesics, antidepressants or psychological disorders ADIR ET COMPAGNIE (FR) 1992-11-24 US disclosed
US-5166156-A Headaches, schizophrenia; stress relieving; analgesics, anxiolytics, antidepressants; hypotensive agents ADIR ET COMPAGNIE (FR) 1992-11-24 US disclosed
US-5162324-A Naphyl piperazines useful as 5-HT1A receptor ligands ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed
US-5162321-A 1-naphthyl piperazines useful as 5-HT1A receptor ligands ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed
US-5143916-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1992-09-01 US disclosed