Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7176136

CCN(C)CCCSC(=N)N.Cl.Cl

nearest known ligand 0.66

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 19)

geneUniProtsupporting neighboursconfidence
HRH2 known ✓ P25021 1/20 0.66
HRH3 known ✓ Q9Y5N1 1/20 0.35
HRH4 Q9H3N8 5/20 0.66
CYP1A2 P05177 5/20 0.66
TDP1 Q9NUW8 4/20 0.66
ALDH1A1 P00352 2/20 0.66
HSD17B10 Q99714 1/20 0.58
NOS1 P29475 6/20 0.55
NOS3 P29474 4/20 0.55
NOS2 P35228 4/20 0.55
CYP2C19 P33261 3/20 0.47
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 2/20 0.40
BLM P54132 1/20 0.40
CYP3A4 P08684 1/20 0.39
APEX1 P27695 1/20 0.39
SMN1; SMN2 Q16637 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
Bromide SCHEMBL7180345 0.96 HRH4 (0.69) HRH4CYP1A2TDP1ALDH1A1HRH2
Hydrochloric Acid SCHEMBL11596112 0.82 CYP1A2 (0.62) HRH4CYP1A2TDP1ALDH1A1HRH2
Dimaprit SCHEMBL7174665 0.82 HRH4 (0.96) HRH4CYP1A2TDP1ALDH1A1HRH2
Dimaprit SCHEMBL30836911 0.82 HRH4 (0.96) HRH4CYP1A2TDP1ALDH1A1HRH2
SCHEMBL11597746 0.80 CYP1A2 (0.64) HRH4CYP1A2TDP1ALDH1A1HRH2
Dimaprit SCHEMBL379810 0.79 HRH4 (1.00) HRH4CYP1A2TDP1ALDH1A1HRH2
Bromide SCHEMBL11596227 0.78 HRH4 (0.66) HRH4CYP1A2TDP1ALDH1A1HRH2
Dimaprit SCHEMBL7173650 0.78 HRH4 (1.00) HRH4CYP1A2TDP1ALDH1A1HRH2
Hydrochloric Acid SCHEMBL30836839 0.78 HRH4 (0.56) HRH4CYP1A2TDP1ALDH1A1HRH2
Hydrochloric Acid SCHEMBL7366284 0.77 NOS1 (0.61) HRH4CYP1A2TDP1ALDH1A1HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655914-B1 Use of Histamine-2 agonists for treatment of sexual dysfunction NAHOUM CESAR ROBERTO DIAS (BR) 2003-02-26 EP disclosed
US-5952361-A Compositions DIAS NAHOUM CESAR ROBERTO (US) 1999-09-14 US disclosed
US-5773457-A Compositions Nahoum, Cesar Roberto Dias (BR) 1998-06-30 US disclosed
EP-0655914-A4 NOVEL COMPOSITIONS. NAHOUM CESAR ROBERTO DIAS (BR) 1998-04-22 EP disclosed
EP-0655914-A1 NOVEL COMPOSITIONS NAHOUM, Cesar Roberto Dias (BR) 1995-06-07 EP disclosed
WO-1994004120-A2 METHODS OF TREATING SEXUAL DYSFUNCTION IN ANIMALS WITH AND H AGONIST NAHOUM CESAR ROBERTO DIAS (BR) 1994-03-03 WO disclosed
US-4126670-A DIALKYLAMINOPROPYL ISOTHIOUREA SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-11-21 US disclosed