SCHEMBL6874479

SCHEMBL6874479

Cc1ccc([C@H](C)NC(=O)C2CCC(Nc3nc(C)cc(N(C)C)n3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.54
ADRA2A P08913 3/20 0.52
HRH1 P35367 3/20 0.52
HTR2B P41595 2/20 0.52
ADRA1A P35348 2/20 0.52
ACACB O00763 3/20 0.52
CNR1 P21554 1/20 0.49
KCNH2 Q12809 1/20 0.49
AURKB Q96GD4 1/20 0.49

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
SCHEMBL6874474 1.00 MCHR1 (0.54) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6461228 0.92 MCHR1 (0.63) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL27632680 0.92 MCHR1 (0.63) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6459392 0.92 MCHR1 (0.63) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458416 0.92 MCHR1 (0.63) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458024 0.92 MCHR1 (0.63) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458407 0.92 MCHR1 (0.63) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458018 0.92 MCHR1 (0.63) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6459885 0.91 CNR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6459876 0.91 CNR1 (0.58) 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