Sugi Predict

Sugi Predict / Compounds / SCHEMBL3170945

SCHEMBL3170945

SCHEMBL3170945

Cc1c(Nc2ccc(CCS(C)(=O)=O)c(F)c2F)ncnc1OC1CCN(OC(=O)OC(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 20/20 0.55
▸ CYP2C9 P11712 4/20 0.53
▸ KCNH2 Q12809 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
SCHEMBL386468 0.89 GPR119 (0.69) GPR119CYP2C9KCNH2
SCHEMBL3171173 0.89 GPR119 (0.57) GPR119CYP2C9KCNH2
SCHEMBL3168570 0.88 GPR119 (0.62) GPR119CYP2C9
SCHEMBL3164141 0.86 GPR119 (0.53) GPR119CYP2C9
SCHEMBL3165549 0.85 GPR119 (0.61) GPR119CYP2C9
SCHEMBL3164119 0.85 GPR119 (0.61) GPR119CYP2C9
SCHEMBL3161254 0.83 GPR119 (0.59) GPR119CYP2C9
SCHEMBL3174766 0.82 GPR119 (0.80) GPR119CYP2C9KCNH2
SCHEMBL3170641 0.80 GPR119 (0.62) GPR119CYP2C9
SCHEMBL3169215 0.79 GPR119 (0.54) 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