SCHEMBL4042822

SCHEMBL4042822

CN1CCc2cc(C(=O)Cn3ncc(OCc4ccccc4)cc3=O)ccc2C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.61
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL1366257 0.97 MCHR1 (0.62) MCHR1HRH3
SCHEMBL1366707 0.93 MCHR1 (0.66) MCHR1
SCHEMBL13748445 0.90 MCHR1 (0.51) MCHR1HRH3
SCHEMBL4540198 0.87 MCHR1 (0.56) MCHR1
SCHEMBL1365708 0.84 MCHR1 (0.56) MCHR1
SCHEMBL1368053 0.84 MCHR1 (0.60) MCHR1HRH3
SCHEMBL1365684 0.83 MCHR1 (0.60) MCHR1
SCHEMBL4046052 0.82 MCHR1 (0.60) MCHR1
SCHEMBL13748123 0.82 MCHR1 (0.53) MCHR1
SCHEMBL1366649 0.82 MCHR1 (0.53) MCHR1HRH3

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 1 patent. 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