SCHEMBL4045683

SCHEMBL4045683

O=c1cc(OCc2ccccc2)ccn1CCc1ccc(Cn2ccccc2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.74
MCHR1 Q99705 11/20 0.69
KCNH2 Q12809 1/20 0.54

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
SCHEMBL1364816 0.86 MCHR1 (0.82) MAPK14MCHR1KCNH2
SCHEMBL2177074 0.86 MAPK14 (1.00) MAPK14MCHR1
SCHEMBL1364736 0.84 MCHR1 (0.73) MAPK14MCHR1KCNH2
SCHEMBL1365313 0.84 MCHR1 (0.73) MAPK14MCHR1KCNH2
SCHEMBL4480114 0.84 MAPK14 (0.84) MAPK14MCHR1KCNH2
SCHEMBL2176073 0.83 MAPK14 (0.86) MAPK14MCHR1
SCHEMBL2174876 0.82 MAPK14 (0.84) MAPK14MCHR1
SCHEMBL4468505 0.82 MAPK14 (0.84) MAPK14MCHR1
SCHEMBL2175898 0.82 MAPK14 (0.84) MAPK14MCHR1
SCHEMBL4468571 0.82 MAPK14 (0.84) MAPK14MCHR1

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