SCHEMBL4045811

SCHEMBL4045811

COCCN1CCc2ccc(CCn3ncc(OCc4ccc(Br)cn4)cc3=O)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.46
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL13748739 0.91 MCHR1 (0.48) MCHR1
SCHEMBL4051730 0.90 MCHR1 (0.47) MCHR1
SCHEMBL1368981 0.89 MCHR1 (0.51) MCHR1
SCHEMBL4046740 0.87 MCHR1 (0.47) MCHR1
SCHEMBL4046493 0.87 MCHR1 (0.50) MCHR1
SCHEMBL4045780 0.85 MCHR1 (0.47) MCHR1
SCHEMBL4050690 0.85 MCHR1 (0.53) MCHR1
SCHEMBL4054678 0.83 MCHR1 (0.50) MCHR1
SCHEMBL1367079 0.82 MCHR1 (0.48) MCHR1
SCHEMBL13748387 0.82 MCHR1 (0.50) 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 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