SCHEMBL4045768

SCHEMBL4045768

O=C(Cn1ccc(OCc2ccccc2)cc1=O)c1ccc(C2CCCCN2)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.59
MAPK14 Q16539 1/20 0.47

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
SCHEMBL4048030 0.84 MCHR1 (0.61) MCHR1
SCHEMBL4046530 0.82 MCHR1 (0.62) MCHR1
SCHEMBL1365451 0.78 MCHR1 (0.77) MCHR1MAPK14
SCHEMBL1366725 0.77 MCHR1 (0.75) MCHR1MAPK14
SCHEMBL1367210 0.77 MCHR1 (0.78) MCHR1MAPK14
SCHEMBL1367239 0.76 MCHR1 (0.79) MCHR1
SCHEMBL1364904 0.76 MCHR1 (0.61) MCHR1MAPK14
SCHEMBL1367682 0.75 MCHR1 (0.63) MCHR1MAPK14
SCHEMBL2876310 0.75 MCHR1 (0.63) MCHR1
SCHEMBL15249806 0.75 MCHR1 (1.00) 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 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