SCHEMBL4721977

SCHEMBL4721977

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2cc(S(C)(=O)=O)ccc2F)ncn1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.43
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
TBK1 Q9UHD2 1/20 0.38

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
SCHEMBL4721644 0.94 GPR119 (0.46) GPR119CYP2C9CYP3A4
SCHEMBL4763290 0.90 TBK1 (0.40) GPR119TBK1
SCHEMBL4723661 0.89 GPR119 (0.38) GPR119CYP2C9CYP3A4TBK1
SCHEMBL390725 0.89 GPR119 (0.54) GPR119CYP2C9CYP3A4
SCHEMBL4721914 0.89 GPR119 (0.46) GPR119TBK1
SCHEMBL4722378 0.88 TBK1 (0.37) GPR119TBK1
SCHEMBL4718652 0.88 TBK1 (0.39) GPR119CYP2C9CYP3A4TBK1
SCHEMBL4719875 0.86 MKNK1 (0.39) GPR119CYP2C9CYP3A4TBK1
SCHEMBL4723218 0.86 GPR119 (0.46) GPR119CYP2C9CYP3A4
SCHEMBL4722045 0.85 S1PR1 (0.38) GPR119CYP2C9CYP3A4TBK1

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