SCHEMBL4044842

SCHEMBL4044842

O=c1cc(OCc2ccc(F)cn2)ccn1CCc1ccc2c(c1)CNC2

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.53
KCNH2 Q12809 2/20 0.51

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
SCHEMBL4048645 0.93 MCHR1 (0.51) MCHR1KCNH2
SCHEMBL4043411 0.93 MCHR1 (0.51) MCHR1KCNH2
SCHEMBL1367546 0.89 MCHR1 (0.52) MCHR1KCNH2
SCHEMBL4048830 0.89 MCHR1 (0.53) MCHR1
SCHEMBL13748494 0.89 MCHR1 (0.45) MCHR1KCNH2
SCHEMBL13748643 0.89 MCHR1 (0.53) MCHR1
SCHEMBL13748449 0.87 MCHR1 (0.55) MCHR1KCNH2
SCHEMBL13748836 0.85 MCHR1 (0.48) MCHR1
SCHEMBL13748817 0.84 MCHR1 (0.53) MCHR1KCNH2
SCHEMBL4047049 0.84 MCHR1 (0.52) MCHR1KCNH2

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