SCHEMBL4566689

SCHEMBL4566689

CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Cn3ccc(OCc4ccccc4)cc3=O)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.54
NR1H2 P55055 1/20 0.46
ESR2 Q92731 1/20 0.45

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
SCHEMBL1364854 0.97 MCHR1 (0.54) MCHR1ESR2
SCHEMBL4045946 0.92 MCHR1 (0.47) MCHR1NR1H2ESR2
SCHEMBL4046615 0.89 MCHR1 (0.58) MCHR1
SCHEMBL4047945 0.89 MCHR1 (0.58) MCHR1
SCHEMBL1367875 0.88 MCHR1 (0.52) MCHR1NR1H2ESR2
SCHEMBL1366972 0.87 MCHR1 (0.54) MCHR1ESR2
SCHEMBL4046203 0.85 NR1H2 (0.46) MCHR1NR1H2ESR2
SCHEMBL1365643 0.84 MCHR1 (0.52) MCHR1NR1H2ESR2
SCHEMBL1368451 0.84 MCHR1 (0.63) MCHR1
SCHEMBL13748598 0.84 MCHR1 (0.58) 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