SCHEMBL6868587

SCHEMBL6868587

CN(C)c1nc(NC2CCC(NC(=O)c3ccc(SC(F)(F)F)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.52
ADRA2A P08913 13/20 0.52
HRH1 P35367 7/20 0.52
HTR2B P41595 6/20 0.52
ADRA1A P35348 5/20 0.52
HTR1A P08908 1/20 0.47
NPY5R Q15761 1/20 0.47

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
SCHEMBL6868586 1.00 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867596 0.89 MCHR1 (0.56) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867593 0.89 MCHR1 (0.56) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6872627 0.88 EPHX1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6872635 0.88 EPHX1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456838 0.87 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456831 0.87 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457099 0.86 MCHR1 (0.69) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457096 0.86 MCHR1 (0.69) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456988 0.85 MCHR1 (0.57) 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