SCHEMBL6876111

SCHEMBL6876111

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cc(F)c(F)c(F)c3F)CC2)nc2c1CCCC2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.55
ADRA2A P08913 12/20 0.55
HRH1 P35367 4/20 0.49
HTR2B P41595 4/20 0.49
ADRA1A P35348 3/20 0.49
HTR1A P08908 1/20 0.49
NPY5R Q15761 1/20 0.49
HPGD P15428 1/20 0.44
TSHR P16473 1/20 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
SCHEMBL6876114 1.00 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877656 0.90 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877664 0.90 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878235 0.87 MCHR1 (0.49) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878240 0.87 MCHR1 (0.49) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877822 0.86 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877818 0.86 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875503 0.86 MCHR1 (0.48) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879794 0.86 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879798 0.86 MCHR1 (0.55) 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 2 patents. 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
EP-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed