SCHEMBL6879878

SCHEMBL6879878

CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(Cl)c3F)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.53
ADRA2A P08913 8/20 0.52
HRH1 P35367 7/20 0.49
HTR2B P41595 6/20 0.49
ADRA1A P35348 4/20 0.49
HTR1A P08908 1/20 0.41
NPY5R Q15761 1/20 0.41

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
SCHEMBL6879886 1.00 MCHR1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877179 0.91 MCHR1 (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877185 0.91 MCHR1 (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6869533 0.88 MCHR1 (0.54) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6869537 0.88 MCHR1 (0.54) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878793 0.86 MCHR1 (0.49) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878801 0.86 MCHR1 (0.49) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874736 0.86 MCHR1 (0.51) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876416 0.84 HPGD (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877218 0.84 MCHR1 (0.53) 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