SCHEMBL2452824

SCHEMBL2452824

CC(C)C(=O)Nc1ccc(-n2ccc(OC3CCN(C(=O)O)C(C(C)C)C3)cc2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.45
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MCHR1 Q99705 1/20 0.39
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2452869 0.92 GPR119 (0.45) GPR119MAPTMCHR1
SCHEMBL2453775 0.90 GPR119 (0.56) GPR119MAPTMCHR1
SCHEMBL2452681 0.89 GPR119 (0.48) GPR119MCHR1
SCHEMBL2452245 0.86 GPR119 (0.48) GPR119MCHR1
SCHEMBL2453862 0.85 GPR119 (0.55) GPR119MAPTNPSR1ALDH1A1MCHR1
SCHEMBL2453891 0.84 GPR119 (0.47) GPR119MCHR1
SCHEMBL2458838 0.84 GPR119 (0.46) GPR119MCHR1
SCHEMBL2450627 0.84 GPR119 (0.51) GPR119MCHR1
SCHEMBL2452397 0.84 GPR119 (0.64) GPR119MCHR1
SCHEMBL2456911 0.81 GPR119 (0.44) GPR119MCHR1

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
EP-2170864-B1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP claimed