SCHEMBL6879845

SCHEMBL6879845

Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](CNC(=O)c3ccc4c(c3)OC(F)(F)O4)CC2)n1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.72
ADRA2A P08913 5/20 0.53
HRH1 P35367 4/20 0.53
HTR2B P41595 4/20 0.53
ADRA1A P35348 4/20 0.52
CNR1 P21554 1/20 0.47
KCNH2 Q12809 1/20 0.47
AURKB Q96GD4 1/20 0.47
HTR1A P08908 1/20 0.44
SMYD3 Q9H7B4 2/20 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
SCHEMBL6879851 1.00 MCHR1 (0.72) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867368 0.86 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867350 0.86 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463298 0.84 MCHR1 (1.00) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463304 0.84 MCHR1 (1.00) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873060 0.84 MCHR1 (0.79) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873055 0.84 MCHR1 (0.79) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6868443 0.83 MCHR1 (0.73) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6868456 0.83 MCHR1 (0.73) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874858 0.83 MCHR1 (0.88) 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