SCHEMBL4044960

SCHEMBL4044960

O=c1cc(OCc2ccccc2)cnn1CCc1ccc2c(c1)CNC2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.47
KCNH2 Q12809 4/20 0.44
CYP3A4 P08684 2/20 0.42

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
SCHEMBL1367249 0.92 MCHR1 (0.45) MCHR1KCNH2CYP3A4
SCHEMBL4046428 0.85 MCHR1 (0.49) MCHR1KCNH2CYP3A4
SCHEMBL4048512 0.83 MCHR1 (0.51) MCHR1
SCHEMBL4048110 0.83 MCHR1 (0.51) MCHR1
SCHEMBL13748049 0.83 MCHR1 (0.40) MCHR1KCNH2CYP3A4
SCHEMBL13748836 0.83 MCHR1 (0.48) MCHR1
SCHEMBL1365799 0.83 HRH3 (0.53) MCHR1CYP3A4
SCHEMBL13748840 0.83 MCHR1 (0.49) MCHR1
SCHEMBL4233558 0.81 MCHR1 (0.62) MCHR1KCNH2
SCHEMBL1366831 0.81 MCHR1 (0.64) 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 3 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 claimed
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