Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5617249

Cl.O=S1(=O)c2sc(Cl)cc2C=CN1CCCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.46

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 12)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 3/20 0.46
DRD2 known ✓ P14416 5/20 0.43
DRD4 known ✓ P21917 1/20 0.43
DRD3 known ✓ P35462 1/20 0.43
HTR1A known ✓ P08908 10/20 0.43
HTR7 known ✓ P34969 9/20 0.43
HTR2A known ✓ P28223 4/20 0.43
HTR6 known ✓ P50406 3/20 0.43
ADRA1A known ✓ P35348 1/20 0.42
SIGMAR1 known ✓ Q99720 2/20 0.42
DRD5 P21918 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL6474004 0.99 KCNH2 (0.47) KCNH2DRD2DRD4DRD5DRD3
Hydrochloric Acid SCHEMBL5617307 0.98 CYP2D6 (0.43) KCNH2DRD2DRD4DRD5DRD3
Hydrochloric Acid SCHEMBL5655044 0.87 DRD2 (0.48) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL6473544 0.86 DRD2 (0.48) DRD2DRD3HTR1AHTR7HTR2A
Hydrochloric Acid SCHEMBL5617457 0.85 HTR1A (0.51) DRD2DRD5DRD3HTR1AHTR7
SCHEMBL6483259 0.84 HTR1A (0.51) DRD2DRD5DRD3HTR1AHTR7
Hydrochloric Acid SCHEMBL5617301 0.81 HRH3 (0.34) SIGMAR1
Hydrochloric Acid SCHEMBL5617435 0.77 DRD2 (0.47) DRD2DRD5DRD3HTR1AHTR7
SCHEMBL7850061 0.75 KCNH2 (0.51) KCNH2DRD2DRD3CYP2D6HTR1A
SCHEMBL14383290 0.74 CHRM1 (0.55) KCNH2DRD2DRD3CYP2D6HTR1A

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-7285553-B2 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders ALCON MANUFACTURING, LTD. (US) 2007-10-23 US disclosed
US-7060704-B2 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders ALCON MANUFACTURING, LTD. (US) 2006-06-13 US disclosed
US-20060052372-A1 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders ALCON RESEARCH, LTD. 2006-03-09 US disclosed
US-6960579-B1 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders ALCON MANUFACTURING, LTD. (US) 2005-11-01 US disclosed
US-20050187214-A1 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders ALCON RESEARCH, LTD. 2005-08-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060052372-A1 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders HTR7, HTR1A, HTR2B KCNH2 1771/4885DRD2 31/4885DRD4 30/4885
US-20050187214-A1 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders HTR7, HTR1A, HTR2B KCNH2 1771/4885DRD2 31/4885DRD4 30/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.