SCHEMBL6440077

SCHEMBL6440077

COC(C(C)=O)N1CCC(Oc2ncnc(Oc3ccc(S(C)(=O)=O)cc3F)c2C)CC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.71
CYP2C9 P11712 3/20 0.71
KCNH2 Q12809 1/20 0.45

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
SCHEMBL6366699 0.92 GPR119 (0.73) GPR119CYP2C9KCNH2
SCHEMBL2401826 0.91 GPR119 (0.68) GPR119CYP2C9
SCHEMBL2404866 0.87 GPR119 (0.70) GPR119CYP2C9KCNH2
SCHEMBL2786447 0.85 GPR119 (0.79) GPR119CYP2C9
SCHEMBL2403026 0.85 GPR119 (0.71) GPR119CYP2C9
SCHEMBL5188842 0.85 GPR119 (0.69) GPR119CYP2C9
SCHEMBL2407312 0.84 GPR119 (0.63) GPR119CYP2C9
SCHEMBL2405728 0.84 GPR119 (0.69) GPR119CYP2C9KCNH2
SCHEMBL2403962 0.83 GPR119 (0.66) GPR119CYP2C9KCNH2
SCHEMBL388991 0.83 GPR119 (0.79) GPR119CYP2C9KCNH2

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
WO-2005007647-A9 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2005-04-07 WO disclosed