SCHEMBL4719082

SCHEMBL4719082

CC(C)(C)OC(=O)ON1CCC(CNc2cc(Nc3ccc(S(C)(=O)=O)cc3F)ncn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.52
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44

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
SCHEMBL4723067 0.89 GPR119 (0.58) GPR119CYP3A4CYP2C9CCNA2CDK2
SCHEMBL391044 0.89 CYP3A4 (0.60) GPR119CYP3A4CYP2C9
SCHEMBL4718688 0.88 GPR119 (0.55) GPR119CYP3A4CYP2C9CCNA2CDK2
SCHEMBL4721644 0.86 GPR119 (0.46) GPR119CYP3A4CYP2C9CCNA2CDK2
SCHEMBL4723218 0.86 GPR119 (0.46) GPR119CYP3A4CYP2C9CCNA2CDK2
SCHEMBL4724409 0.85 GPR119 (0.48) GPR119CYP3A4CYP2C9CCNA2CDK2
SCHEMBL4719030 0.85 GPR119 (0.67) GPR119CYP3A4CYP2C9
SCHEMBL4722413 0.83 GPR119 (0.50) GPR119CYP3A4CYP2C9CCNA2CDK2
SCHEMBL388240 0.81 GPR119 (0.73) GPR119CYP2C9
SCHEMBL4721977 0.80 GPR119 (0.43) GPR119CYP3A4CYP2C9

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-1756084-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2008-11-26 EP claimed