SCHEMBL6880136

SCHEMBL6880136

Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(Cl)c(Cl)c3)CC2)n1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.78
ADRA2A P08913 5/20 0.77
HRH1 P35367 4/20 0.77
HTR2B P41595 3/20 0.77
ADRA1A P35348 3/20 0.62
KCNH2 Q12809 2/20 0.52
CNR1 P21554 1/20 0.52
AURKB Q96GD4 1/20 0.52
CACNA1I Q9P0X4 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL6880145 1.00 MCHR1 (0.78) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876154 0.92 MCHR1 (0.85) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876148 0.92 MCHR1 (0.85) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463960 0.90 MCHR1 (0.84) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463956 0.90 MCHR1 (0.84) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873055 0.88 MCHR1 (0.79) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873060 0.88 MCHR1 (0.79) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456640 0.87 MCHR1 (1.00) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456632 0.87 MCHR1 (1.00) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464183 0.87 MCHR1 (1.00) MCHR1ADRA2AHRH1HTR2BADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed