SCHEMBL4723067

SCHEMBL4723067

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.58
CYP2C9 P11712 4/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
KCNH2 Q12809 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4719082 0.89 GPR119 (0.52) GPR119CYP2C9CCNA2CDK2CDK5
SCHEMBL388240 0.89 GPR119 (0.73) GPR119CYP2C9KCNH2
SCHEMBL4720988 0.86 GPR119 (0.55) GPR119CYP2C9CCNA2CDK2CDK5
SCHEMBL4722991 0.86 GPR119 (0.54) GPR119CYP2C9CCNA2CDK2CDK5
SCHEMBL4719718 0.85 GPR119 (0.79) GPR119CYP2C9KCNH2
SCHEMBL391044 0.81 CYP3A4 (0.60) GPR119CYP2C9CYP3A4
SCHEMBL4765550 0.78 GPR119 (0.49) GPR119CYP2C9CCNA2CDK2CDK5
SCHEMBL4724409 0.77 GPR119 (0.48) GPR119CYP2C9CCNA2CDK2CDK5
SCHEMBL3174766 0.77 GPR119 (0.80) GPR119CYP2C9KCNH2
SCHEMBL3161995 0.77 GPR119 (0.59) GPR119CYP2C9CYP3A4

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