SCHEMBL455932

SCHEMBL455932

BrC1[C]=CCc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.34
HRH1 P35367 2/20 0.32
RET P07949 1/20 0.31
HTR2C P28335 1/20 0.31
KDM1A O60341 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
ANPEP P15144 1/20 0.31
OPRM1 P35372 1/20 0.30

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
SCHEMBL3389204 0.77 HTR2A (0.35) HTR2AHRH1RETHTR2CKDM1A
SCHEMBL4307808 0.75 HTR2A (0.34) HTR2AHRH1RETHTR2CGRIN2D
SCHEMBL6521360 0.75 HTR2A (0.35) HTR2AHRH1HTR2COPRM1
SCHEMBL458123 0.75 HTR2A (0.34) HTR2AHRH1RETHTR2CGRIN2D
SCHEMBL458495 0.75 HTR2A (0.35) HTR2AHRH1HTR2COPRM1
SCHEMBL874497 0.75 HTR2A (0.34) HTR2AHRH1RETHTR2CGRIN2D
SCHEMBL4290508 0.75 HTR2A (0.35) HTR2AHRH1HTR2COPRM1
SCHEMBL8418267 0.75 KDM1A (0.39) HTR2AHTR2CKDM1A
SCHEMBL3634708 0.72 PRCP (0.38) HTR2AHTR2C
SCHEMBL8890669 0.72 CHRNB2 (0.33) HTR2AKDM1AGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed
EP-2310378-A2 OXADIAZOLE-2-OXIDES AS ANTISCHISTOSOMAL AGENTS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2011-04-20 EP disclosed
WO-2010019772-A2 OXADIAZOLE-2-OXIDES AS ANTISCHISTOSOMAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-02-18 WO disclosed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
WO-2005082414-A2 CONCOMITANT DRUGS OF A SULFONAMIDE AND ANOTHER THERAPEUTIC AGENT ASTELLAS PHARMA INC. (JP) 2005-09-09 WO disclosed
EP-1157003-A1 ACYLATED AMINOACETONITRILES AS CYSTEINE PROTEASE INHIBITORS AstraZeneca AB (SE) 2001-11-28 EP disclosed
WO-2000048992-A1 ACYLATED AMINOACETONITRILES AS CYSTEINE PROTEASE INHIBITORS ASTRAZENECA AB (SE) 2000-08-24 WO disclosed
WO-1997040010-A1 HALOGENATED NAPHTHYL METHOXY PIPERIDINES FOR MAPPING SEROTONIN TRANSPORTER SITES EMORY UNIVERSITY (US) 1997-10-30 WO disclosed
WO-1997014685-A1 PYRIMIDINE DERIVATIVES GYÓGYSZERKUTATÓ INTÉZET KFT (HU) 1997-04-24 WO disclosed