SCHEMBL3257201

SCHEMBL3257201

COc1cc(S(N)(=O)=O)ccc1Nc1nccc(OC2CCN(OC(=O)OC(C)C)CC2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.41
CYP2C9 P11712 3/20 0.41
KCNH2 Q12809 1/20 0.41
ERBB2 P04626 2/20 0.35
IKBKB O14920 1/20 0.34
EGFR P00533 2/20 0.34
GPR6 P46095 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PTGDR Q13258 1/20 0.34
ALK Q9UM73 1/20 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
SCHEMBL386816 0.89 GPR119 (0.52) GPR119CYP2C9KCNH2
SCHEMBL3259056 0.88 GPR119 (0.40) GPR119CYP2C9KCNH2ERBB2PDE4A
SCHEMBL3258262 0.87 GPR119 (0.45) GPR119CYP2C9KCNH2GPR6
SCHEMBL3254476 0.83 GPR119 (0.45) GPR119CYP2C9KCNH2ERBB2GPR6
SCHEMBL3252207 0.81 GPR119 (0.59) GPR119CYP2C9KCNH2
SCHEMBL3252589 0.80 GPR119 (0.41) GPR119CYP2C9KCNH2ERBB2EGFR
SCHEMBL3255908 0.80 GPR119 (0.49) GPR119CYP2C9KCNH2
SCHEMBL3254115 0.80 GPR119 (0.47) GPR119ERBB2GPR6
SCHEMBL3252397 0.80 GPR6 (0.45) GPR119GPR6
SCHEMBL3254121 0.80 GPR119 (0.42) GPR119CYP2C9KCNH2ERBB2EGFR

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