SCHEMBL4045071

SCHEMBL4045071

C=C(Cn1ccc(OCc2ccccc2)cc1=O)c1ccc2c(c1)CNCC2

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.48
MAPK14 Q16539 1/20 0.48
CYP3A4 P08684 2/20 0.45

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
SCHEMBL1365006 0.90 MCHR1 (0.59) MCHR1MAPK14
SCHEMBL1367750 0.86 MCHR1 (0.59) MCHR1MAPK14
SCHEMBL1364904 0.84 MCHR1 (0.61) MCHR1MAPK14
SCHEMBL13749108 0.84 MCHR1 (0.50) MCHR1
SCHEMBL13747787 0.83 MCHR1 (0.52) MCHR1
SCHEMBL1367682 0.82 MCHR1 (0.63) MCHR1MAPK14
SCHEMBL1365814 0.81 MCHR1 (0.58) MCHR1MAPK14CYP3A4
SCHEMBL4043169 0.81 MCHR1 (0.50) MCHR1
SCHEMBL13748061 0.81 MCHR1 (0.39) MCHR1
SCHEMBL13748113 0.80 MCHR1 (0.50) MCHR1CYP3A4

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