SCHEMBL3170972

SCHEMBL3170972

CC(C)OC(=O)ON1CCC(Oc2ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c2C#N)CC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.65
CYP2C9 P11712 5/20 0.50
KCNH2 Q12809 1/20 0.48

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
SCHEMBL389011 0.90 GPR119 (0.80) GPR119CYP2C9KCNH2
SCHEMBL3174766 0.89 GPR119 (0.80) GPR119CYP2C9KCNH2
SCHEMBL3249631 0.88 GPR119 (0.66) GPR119CYP2C9KCNH2
SCHEMBL3168213 0.88 GPR119 (0.57) GPR119CYP2C9KCNH2
SCHEMBL3160048 0.87 GPR119 (0.52) GPR119CYP2C9KCNH2
SCHEMBL3155068 0.87 GPR119 (0.52) GPR119CYP2C9
SCHEMBL3161229 0.86 GPR119 (0.64) GPR119CYP2C9KCNH2
SCHEMBL3164582 0.85 GPR119 (0.63) GPR119CYP2C9KCNH2
SCHEMBL3161505 0.85 GPR119 (0.50) GPR119CYP2C9
SCHEMBL3165569 0.85 GPR119 (0.50) GPR119CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644357-B9 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2010-03-24 EP claimed
EP-1644357-B1 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-12-12 EP claimed