Sugi Predict

Sugi Predict / Compounds / SCHEMBL4454353

SCHEMBL4454353

SCHEMBL4454353

Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC1CCN(CC(=O)CCCC(C)CC(C(=O)CCC(C)C)N2CCC(Oc3ncnc(Oc4ccc(S(C)(=O)=O)cc4F)c3C)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 20/20 0.57
▸ CYP2C9 P11712 3/20 0.57
▸ KCNH2 Q12809 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
SCHEMBL4454350 0.91 GPR119 (0.65) GPR119CYP2C9
SCHEMBL389205 0.91 GPR119 (0.66) GPR119CYP2C9KCNH2
SCHEMBL390447 0.89 GPR119 (0.68) GPR119CYP2C9KCNH2
SCHEMBL1069819 0.87 GPR119 (0.57) GPR119CYP2C9KCNH2
SCHEMBL386100 0.84 GPR119 (0.64) GPR119CYP2C9
SCHEMBL1889155 0.83 GPR119 (0.64) GPR119CYP2C9
SCHEMBL389473 0.83 GPR119 (0.70) GPR119CYP2C9KCNH2
SCHEMBL388981 0.82 GPR119 (0.66) GPR119CYP2C9KCNH2
SCHEMBL390782 0.82 GPR119 (0.65) GPR119CYP2C9
SCHEMBL1902173 0.82 GPR119 (0.72) 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
EP-2116235-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level Arena Pharmaceuticals, Inc. (US) 2009-11-11 — — EP disclosed