SCHEMBL5603764

SCHEMBL5603764

CCC(=O)CN1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2)CC1.CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCN(C(=O)Cc5cncc(Br)c5)CC4)ncnc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.62
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL390195 0.94 GPR119 (0.68) GPR119CYP2C9KCNH2
SCHEMBL389921 0.87 GPR119 (0.75) GPR119CYP2C9KCNH2
SCHEMBL389488 0.83 GPR119 (0.70) GPR119CYP2C9KCNH2
SCHEMBL390407 0.79 GPR119 (0.80) GPR119CYP2C9KCNH2
SCHEMBL14548273 0.78 GPR119 (0.71) GPR119CYP2C9KCNH2
SCHEMBL386123 0.78 GPR119 (0.72) GPR119CYP2C9KCNH2
SCHEMBL389389 0.78 GPR119 (0.80) GPR119CYP2C9KCNH2
SCHEMBL389690 0.78 GPR119 (1.00) GPR119CYP2C9KCNH2
SCHEMBL288589 0.77 GPR119 (0.80) GPR119CYP2C9KCNH2
SCHEMBL5603767 0.77 GPR119 (0.61) 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-1808168-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) 2007-07-18 EP disclosed