SCHEMBL6878017

SCHEMBL6878017

CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)Nc3c(F)cc(Br)cc3F)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.48
ADRA2A P08913 4/20 0.41
HRH1 P35367 4/20 0.41
ADRA1A P35348 3/20 0.41
HTR2B P41595 3/20 0.41
AURKB Q96GD4 2/20 0.40
CNR1 P21554 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDR P35968 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL6878024 1.00 MCHR1 (0.48) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6466751 0.95 MCHR1 (0.46) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6466747 0.95 MCHR1 (0.46) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6457168 0.90 MCHR1 (0.43) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6457173 0.90 MCHR1 (0.43) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6460544 0.89 MCHR1 (0.43) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6460549 0.89 MCHR1 (0.43) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6457594 0.88 MCHR1 (0.49) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6457602 0.88 MCHR1 (0.49) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6467816 0.84 MCHR1 (0.47) MCHR1ADRA2AHRH1ADRA1AHTR2B

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