Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8037826

Cl.Cl.c1ccc(CN2CCC(n3ccc4cc(-n5cnnc5)ccc43)CC2)nc1

nearest known ligand 0.45

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
HTR1D known ✓ P28221 3/20 0.45
HTR1B known ✓ P28222 3/20 0.45
PRKCG known ✓ P05129 2/20 0.41
PRKCB known ✓ P05771 2/20 0.41
PRKCA known ✓ P17252 2/20 0.41
PRKCE known ✓ Q02156 2/20 0.41
DRD2 known ✓ P14416 1/20 0.40
SLC6A4 known ✓ P31645 1/20 0.40
MET known ✓ P08581 1/20 0.40
PDGFRB known ✓ P09619 1/20 0.40
KIT known ✓ P10721 1/20 0.40
FGFR1 known ✓ P11362 1/20 0.40
PRKCH known ✓ P24723 1/20 0.40
FLT4 known ✓ P35916 1/20 0.40
FLT3 known ✓ P36888 1/20 0.40
PRKCQ known ✓ Q04759 1/20 0.40
PRKCZ known ✓ Q05513 1/20 0.40
PRKCD known ✓ Q05655 1/20 0.40
DRD4 known ✓ P21917 2/20 0.39
PIK3CA known ✓ P42336 1/20 0.39

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
SCHEMBL7804880 0.99 HTR1D (0.46) HTR1DHTR1BL3MBTL1PRKCGPRKCB
Hydrochloric Acid SCHEMBL8021805 0.92 HTR1D (0.45) HTR1DHTR1BL3MBTL1PRKCGPRKCB
SCHEMBL7804169 0.91 HTR1D (0.46) HTR1DHTR1BL3MBTL1PRKCGPRKCB
Hydrochloric Acid SCHEMBL8031557 0.85 DRD2 (0.47) HTR1DHTR1BDRD2SLC6A4JAK3
SCHEMBL7804925 0.84 DRD2 (0.48) HTR1DHTR1BDRD2SLC6A4JAK3
SCHEMBL4758506 0.81 DRD2 (0.59) L3MBTL1PRKCGPRKCBPRKCAPRKCE
Hydrochloric Acid SCHEMBL8033624 0.77 DRD2 (0.47) HTR1DHTR1BDRD2SLC6A4DRD4
Hydrochloric Acid SCHEMBL8033761 0.77 NOS3 (0.46) HTR1DHTR1BDRD2SLC6A4PDGFRB
SCHEMBL7804156 0.76 DRD2 (0.48) HTR1DHTR1BDRD2SLC6A4DRD4
Hydrochloric Acid SCHEMBL8031546 0.76 HTR1D (0.44) HTR1DHTR1BL3MBTL1KDM4EDRD4

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
CN-1510034-A Indazole compound, preparing method thereof and medicine composition containing the same ɪά��ʵ���� 2004-07-07 CN disclosed
CN-1087741-C Novel indole and indazole compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-07-17 CN disclosed
US-6046205-A FOR TREATMENT OF VENOUS INSUFFICIENCY AND OF ASSOCIATED DISORDERS, AND ALSO IN THE TREATMENT OF MIGRAINE ADIR ET COMPAGNIE (FR) 2000-04-04 US disclosed
US-6020336-A Indole and indazole compounds LES LABORATOIRES SERVIER (FR) 2000-02-01 US disclosed
CN-1218052-A Novel indole and indazole compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-06-02 CN disclosed