SCHEMBL6867462

SCHEMBL6867462

Cc1cc(NC(=O)N[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)c(C(F)(F)F)o1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.45
ADRA2A P08913 5/20 0.45
HRH1 P35367 4/20 0.45
ADRA1A P35348 4/20 0.45
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
HTR2B P41595 4/20 0.40
AURKB Q96GD4 2/20 0.38
CNR1 P21554 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR1A P08908 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
SCHEMBL6875069 0.90 MCHR1 (0.47) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6875059 0.90 MCHR1 (0.47) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6879426 0.86 MCHR1 (0.50) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6879429 0.86 MCHR1 (0.50) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6878016 0.82 EPHX2 (0.45) MCHR1ADRA2AHRH1ADRA1ACCNC
SCHEMBL6878023 0.82 EPHX2 (0.45) MCHR1ADRA2AHRH1ADRA1ACCNC
SCHEMBL6880615 0.81 CCNC (0.47) MCHR1ADRA2AHRH1ADRA1ACCNC
SCHEMBL6880610 0.81 CCNC (0.47) MCHR1ADRA2AHRH1ADRA1ACCNC
SCHEMBL6880682 0.81 CCNC (0.44) MCHR1ADRA2AHRH1ADRA1ACCNC
SCHEMBL6880688 0.81 CCNC (0.44) MCHR1ADRA2AHRH1ADRA1ACCNC

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