SCHEMBL4046428

SCHEMBL4046428

CN1Cc2ccc(CCn3ncc(OCc4ccccc4)cc3=O)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.49
KCNH2 Q12809 4/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP3A4 P08684 1/20 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
SCHEMBL1365799 0.93 HRH3 (0.53) MCHR1HRH3CYP3A4
SCHEMBL13748840 0.89 MCHR1 (0.49) MCHR1HRH3
SCHEMBL4044960 0.85 MCHR1 (0.47) MCHR1KCNH2CYP3A4
SCHEMBL4054734 0.85 MCHR1 (0.47) MCHR1HRH3
SCHEMBL4050690 0.83 MCHR1 (0.53) MCHR1
SCHEMBL13748119 0.83 MCHR1 (0.50) MCHR1
SCHEMBL4047406 0.83 MCHR1 (0.55) MCHR1
SCHEMBL13748855 0.83 MCHR1 (0.43) MCHR1KCNH2CYP3A4
SCHEMBL1367249 0.82 MCHR1 (0.45) MCHR1KCNH2HRH3CYP3A4
SCHEMBL1366707 0.82 MCHR1 (0.66) 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