SCHEMBL4054145

SCHEMBL4054145

CC(C)(C)OC(=O)N1CCc2ccc(CCn3ccc(OCc4ccc(Cl)cn4)cc3=O)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.51
ESR2 Q92731 1/20 0.43
NR1H2 P55055 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
SCHEMBL4049260 0.94 MCHR1 (0.52) MCHR1
SCHEMBL1364697 0.91 MCHR1 (0.51) MCHR1NR1H2
SCHEMBL4215749 0.91 MCHR1 (0.49) MCHR1ESR2NR1H2
SCHEMBL1367201 0.89 MCHR1 (0.50) MCHR1ESR2NR1H2
SCHEMBL1364919 0.88 NR1H2 (0.44) MCHR1ESR2NR1H2
SCHEMBL4048588 0.86 MCHR1 (0.57) MCHR1
SCHEMBL4212822 0.86 MCHR1 (0.50) MCHR1ESR2
SCHEMBL1367875 0.85 MCHR1 (0.52) MCHR1ESR2NR1H2
SCHEMBL29097986 0.85 ESR2 (0.54) ESR2NR1H2
SCHEMBL30199610 0.85 ESR2 (0.54) ESR2NR1H2

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