SCHEMBL6873238

SCHEMBL6873238

CN(C)c1nc(NC2CCC(NC(=O)Nc3c(F)cc(F)cc3Br)CC2)nc2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.41
ADRA2A P08913 9/20 0.41
HRH1 P35367 4/20 0.41
HTR2B P41595 4/20 0.41
ADRA1A P35348 3/20 0.41
HTR1A P08908 1/20 0.40
NPY5R Q15761 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL6873232 1.00 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867415 0.95 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867407 0.95 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458617 0.93 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458626 0.93 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878601 0.90 MCHR1 (0.43) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878606 0.90 MCHR1 (0.43) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462108 0.88 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462113 0.88 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867175 0.85 MCHR1 (0.44) 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