SCHEMBL6832112

SCHEMBL6832112

CN(C)c1nc(NC2CCC(NC(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.44
ADRA2A P08913 13/20 0.44
HRH1 P35367 7/20 0.41
HTR2B P41595 7/20 0.41
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.39
ADRA1A P35348 4/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.37
NPY5R Q15761 1/20 0.37

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
SCHEMBL6464817 1.00 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6868128 0.90 MCHR1 (0.46) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6874204 0.90 RAB9A (0.54) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6874197 0.90 RAB9A (0.54) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6868122 0.90 MCHR1 (0.46) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6867547 0.89 MAPT (0.47) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6867543 0.89 MAPT (0.47) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6875821 0.89 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6875825 0.89 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6876604 0.89 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed