SCHEMBL6874449

SCHEMBL6874449

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

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.65
ADRA2A P08913 4/20 0.65
HRH1 P35367 4/20 0.65
HTR2B P41595 3/20 0.65
ADRA1A P35348 3/20 0.62
CNR1 P21554 1/20 0.49
KCNH2 Q12809 1/20 0.49
AURKB Q96GD4 1/20 0.49
CRHR1 P34998 2/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL6874452 1.00 MCHR1 (0.65) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462263 0.92 MCHR1 (0.77) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462260 0.92 MCHR1 (0.77) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867537 0.92 MCHR1 (0.77) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867542 0.92 MCHR1 (0.77) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873373 0.91 MCHR1 (0.67) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873379 0.91 MCHR1 (0.67) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878310 0.89 MCHR1 (0.67) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878318 0.89 MCHR1 (0.67) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457682 0.88 MCHR1 (0.83) 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