SCHEMBL13748855

SCHEMBL13748855

Bc1ccc(COc2cnn(CCc3ccc4c(c3)CN(C)C4)c(=O)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.43
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 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
SCHEMBL13748641 0.93 MCHR1 (0.43) MCHR1CYP3A4KCNH2
SCHEMBL13748352 0.92 MCHR1 (0.43) MCHR1
SCHEMBL13748357 0.89 MCHR1 (0.41) MCHR1CYP3A4KCNH2
SCHEMBL4050690 0.89 MCHR1 (0.53) MCHR1
SCHEMBL4047406 0.89 MCHR1 (0.55) MCHR1
SCHEMBL13748119 0.89 MCHR1 (0.50) MCHR1
SCHEMBL13748049 0.87 MCHR1 (0.40) MCHR1CYP3A4KCNH2
SCHEMBL13747935 0.86 MCHR1 (0.39) MCHR1
SCHEMBL13748381 0.85 MCHR1 (0.47) MCHR1KCNH2
SCHEMBL13748500 0.84 MCHR1 (0.38) MCHR1

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
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed