SCHEMBL6876013

SCHEMBL6876013

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)Cc3ccccc3OC(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.52
ADRA2A P08913 14/20 0.52
NPY5R Q15761 10/20 0.52
EPHX2 P34913 1/20 0.42
GLS O94925 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ACP1 P24666 1/20 0.38

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
SCHEMBL6876020 1.00 MCHR1 (0.52) MCHR1ADRA2ANPY5REPHX2GLS
SCHEMBL6878911 0.89 MCHR1 (0.61) MCHR1ADRA2ANPY5REPHX2ACP1
SCHEMBL6878907 0.89 MCHR1 (0.61) MCHR1ADRA2ANPY5REPHX2ACP1
Hydrochloric Acid SCHEMBL6456269 0.89 MCHR1 (0.60) MCHR1ADRA2ANPY5REPHX2ACP1
SCHEMBL6867585 0.86 MCHR1 (0.45) MCHR1ADRA2ANPY5RITGB3ITGAV
SCHEMBL6867592 0.86 MCHR1 (0.45) MCHR1ADRA2ANPY5RITGB3ITGAV
SCHEMBL6461455 0.85 MCHR1 (0.44) MCHR1ADRA2ANPY5RITGB3ITGAV
SCHEMBL6868396 0.85 MCHR1 (0.44) MCHR1ADRA2ANPY5RITGB3ITGAV
SCHEMBL6868405 0.85 MCHR1 (0.44) MCHR1ADRA2ANPY5RITGB3ITGAV
SCHEMBL6461446 0.85 MCHR1 (0.44) MCHR1ADRA2ANPY5RITGB3ITGAV

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