Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7817705

COc1cc(CC2NCCc3c2[nH]c2ccc(C)cc32)cc(OC)c1OC.Cl

nearest known ligand 0.85

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 6)

geneUniProtsupporting neighboursconfidence
HTR2B known ✓ P41595 2/20 0.85
CHRM4 known ✓ P08173 3/20 0.60
DRD2 known ✓ P14416 3/20 0.60
HTR7 known ✓ P34969 3/20 0.60
HTR2A known ✓ P28223 4/20 0.53
HTR2C known ✓ P28335 1/20 0.53

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
SCHEMBL8659369 0.99 HTR2B (0.83) HTR2BCHRM4DRD2HTR7HTR2A
Hydrochloric Acid SCHEMBL8200961 0.93 HTR2B (0.77) HTR2BCHRM4DRD2HTR7HTR2A
SCHEMBL7817554 0.93 HTR2B (0.77) HTR2BCHRM4DRD2HTR7HTR2A
SCHEMBL7816668 0.92 HTR2B (0.75) HTR2BCHRM4DRD2HTR7HTR2A
Hydrochloric Acid SCHEMBL29727825 0.92 HTR2B (1.00) HTR2BCHRM4DRD2HTR7HTR2A
Hydrochloric Acid SCHEMBL7828661 0.92 HTR2B (1.00) HTR2BCHRM4DRD2HTR7HTR2A
SCHEMBL11043054 0.91 HTR2B (0.98) HTR2BCHRM4DRD2HTR7HTR2A
SCHEMBL9391684 0.91 HTR2B (0.98) HTR2BCHRM4DRD2HTR7HTR2A
SCHEMBL29462336 0.91 HTR2B (0.98) HTR2BCHRM4DRD2HTR7HTR2A
Hydrochloric Acid SCHEMBL8197510 0.90 HTR2B (0.72) HTR2BCHRM4DRD2HTR7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749313-A4 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS LILLY CO ELI (US) 2001-10-24 EP disclosed
US-6090945-A HIGH AFFINITY FOR THE 5-HT1C RECEPTOR. ELI LILLY AND COMPANY (US) 2000-07-18 US disclosed
US-5886003-A ADMINISTERING 5-HT2 ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-03-23 US disclosed
US-5869497-A Method of treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1999-02-09 US disclosed
US-5861425-A CENTRAL NERVOUS SYSTEM DISORDERS FOR TREATMENT OF ANXIETY, ELI LILLY AND COMPANY (US) 1999-01-19 US disclosed
US-5736544-A ADMINISTERING TO TREAT MIGRAINE HEADACHES IN MAMMALS ELI LILLY AND COMPANY (US) 1998-04-07 US disclosed
US-5705519-A ADMINISTERING A SUBSTITUTED INDOLE TO A MAMMAL ELI LILLY AND COMPANY (US) 1998-01-06 US disclosed
US-5688807-A ANTIDEPRESSANTS, ANXIETY, UROGENITAL DISORDERS, HYPOTENSIVES, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1997-11-18 US disclosed
EP-0797995-A2 Use of a 5-HT2 receptor antagonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1997-10-01 EP disclosed
EP-0797994-A2 Use of one or more 5-HT2 receptor antagonists in the manufacture of a medicament for treating the symptoms of venomous bites and stings ELI LILLY AND COMPANY (US) 1997-10-01 EP disclosed
US-5635528-A RECEPTOR BINDING MODULATORS, FOR CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-06-03 US disclosed
EP-0749313-A1 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
US-5508284-A TREATING 5-HYDROXYTRYPTAMINE MODULATION ELI LILLY AND COMPANY (US) 1996-04-16 US disclosed
US-5500431-A ANTISEROTONINE AGENTS; SEXUAL AND EATING DISORDERS ELI LILLY AND COMPANY (US) 1996-03-19 US disclosed
WO-1995024200-A1 METHOD FOR TREATING 5HT2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1995-09-14 WO disclosed