SCHEMBL6877930

SCHEMBL6877930

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccccc3OC(F)(F)F)CC2)nc2c1CCCC2

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.59
ADRA2A P08913 16/20 0.59
NPY5R Q15761 3/20 0.48
HRH1 P35367 3/20 0.44
HTR2B P41595 3/20 0.44
ADRA1A P35348 2/20 0.44
HTR1A P08908 1/20 0.43

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
SCHEMBL6877937 1.00 MCHR1 (0.59) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6880853 0.87 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463991 0.87 MCHR1 (0.52) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6880846 0.87 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463996 0.87 MCHR1 (0.52) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6457777 0.86 EPHX2 (0.50) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6457784 0.86 EPHX2 (0.50) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13793365 0.84 MCHR1 (0.81) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL27651758 0.83 MCHR1 (0.54) MCHR1ADRA2ANPY5RHRH1HTR2B
Hydrochloric Acid SCHEMBL3940012 0.83 MCHR1 (0.80) MCHR1ADRA2ANPY5RHRH1HTR2B

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