SCHEMBL4050587

SCHEMBL4050587

O=c1cc(OCc2ccc(F)cn2)ccn1CCc1ccc2c(c1)CN(CCO)CC2

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.51
KCNH2 Q12809 2/20 0.46
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44

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
SCHEMBL13748817 0.89 MCHR1 (0.53) MCHR1KCNH2
SCHEMBL4216316 0.87 MCHR1 (0.51) MCHR1KCNH2
SCHEMBL4054937 0.87 MCHR1 (0.49) MCHR1PRMT5WDR77
SCHEMBL4047049 0.86 MCHR1 (0.52) MCHR1KCNH2
SCHEMBL13748467 0.85 MCHR1 (0.53) MCHR1KCNH2
SCHEMBL13748449 0.84 MCHR1 (0.55) MCHR1KCNH2
SCHEMBL13748888 0.83 MCHR1 (0.51) MCHR1KCNH2
SCHEMBL1367910 0.83 MCHR1 (0.50) MCHR1KCNH2
SCHEMBL4215749 0.83 MCHR1 (0.49) MCHR1KCNH2
SCHEMBL1367546 0.83 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 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