Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11050136

CCC1(NCC(=O)N(C)c2ccc(Cl)cc2C(=O)c2ccccc2Cl)CCCCC1.Cl

nearest known ligand 0.48

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
GABRP known ✓ O00591 3/20 0.48
GABRD known ✓ O14764 3/20 0.48
GABRA1 known ✓ P14867 3/20 0.48
GABRB1 known ✓ P18505 3/20 0.48
GABRG2 known ✓ P18507 3/20 0.48
GABRB3 known ✓ P28472 3/20 0.48
GABRA5 known ✓ P31644 3/20 0.48
GABRA3 known ✓ P34903 3/20 0.48
GABRA2 known ✓ P47869 3/20 0.48
GABRB2 known ✓ P47870 3/20 0.48
GABRA4 known ✓ P48169 3/20 0.48
GABRE known ✓ P78334 3/20 0.48
GABRA6 known ✓ Q16445 3/20 0.48
GABRG1 known ✓ Q8N1C3 3/20 0.48
GABRG3 known ✓ Q99928 3/20 0.48
GABRQ known ✓ Q9UN88 3/20 0.48
PTGS1 known ✓ P23219 1/20 0.34
HCN4 known ✓ Q9Y3Q4 1/20 0.33
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45

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
Hydrochloric Acid SCHEMBL11045533 0.99 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL11047645 0.87 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
Ciprazafone SCHEMBL11046914 0.79 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11047667 0.79 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL11046471 0.79 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
Ciprazafone SCHEMBL2109737 0.78 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11046930 0.77 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
Lorzafone Anhydrous SCHEMBL637186 0.75 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11051770 0.75 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL11050786 0.75 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2

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-4476061-A ANXIOLYTIC AGENTS PIERRE FABRE, SA (FR) 1984-10-09 US disclosed
US-4409241-A Method of treating anxiety with 2'-(orthochlorobenzoyl)-4'-chloroglycylanilides, and compositions thereof PIERRE FABRE S.A. (FR) 1983-10-11 US disclosed
US-4382930-A 2'-(Orthochlorobenzoyl)-4'-chloroglycylanilides, compositions thereof, and use as medicaments PIERRE FABRE S.A. (FR) 1983-05-10 US disclosed
US-4380667-A ANXIOLYTIC AGENTS PIERRE FABRE S.A. (FR) 1983-04-19 US disclosed
US-4370347-A Method of treating anxiety with 2'-(orthochlorobenzoyl)-4'-chloroglycylanilides, and compositions thereof PIERRE FABRE S.A. (FR) 1983-01-25 US disclosed