SCHEMBL3258290

SCHEMBL3258290

COc1nc(CCS(C)(=O)=O)ccc1Nc1nccc(OC2CCN(OC(=O)OC(C)C)CC2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.43
CYP2C9 P11712 3/20 0.43
KCNH2 Q12809 1/20 0.43
ACACB O00763 5/20 0.34

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
SCHEMBL3258278 0.93 GPR119 (0.48) GPR119CYP2C9KCNH2ACACB
SCHEMBL3255924 0.91 GPR119 (0.40) GPR119CYP2C9KCNH2ACACB
SCHEMBL389478 0.90 GPR119 (0.54) GPR119CYP2C9KCNH2
SCHEMBL3252589 0.85 GPR119 (0.41) GPR119CYP2C9KCNH2
SCHEMBL3251852 0.84 GPR119 (0.45) GPR119CYP2C9KCNH2ACACB
SCHEMBL3251916 0.83 GPR119 (0.47) GPR119CYP2C9KCNH2
SCHEMBL3256352 0.83 GPR119 (0.62) GPR119CYP2C9KCNH2
SCHEMBL388699 0.83 GPR119 (0.60) GPR119CYP2C9KCNH2
SCHEMBL3255503 0.83 GPR119 (0.44) GPR119CYP2C9KCNH2ACACB
SCHEMBL3256354 0.82 GPR119 (0.46) GPR119CYP2C9KCNH2ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911756-B9 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2010-05-26 EP claimed
EP-1911756-B1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2009-10-21 EP claimed
EP-1732562-B1 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-12-19 EP claimed