SCHEMBL3254476

SCHEMBL3254476

COc1c(OC2CCN(OC(=O)OC(C)C)CC2)ccnc1Nc1ccc(S(=O)(=O)CCO)cc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.45
CYP2C9 P11712 4/20 0.38
KCNH2 Q12809 1/20 0.38
GPR6 P46095 3/20 0.36
ERBB2 P04626 2/20 0.35
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 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
SCHEMBL389661 0.90 GPR119 (0.56) GPR119CYP2C9KCNH2
SCHEMBL3254121 0.89 GPR119 (0.42) GPR119CYP2C9KCNH2GPR6ERBB2
SCHEMBL3252680 0.87 GPR119 (0.39) GPR119CYP2C9KCNH2GPR6ERBB2
SCHEMBL3252644 0.86 ACACB (0.39) GPR119CYP2C9KCNH2GPR6ERBB2
SCHEMBL5050813 0.86 GPR119 (0.43) GPR119CYP2C9KCNH2GPR6ERBB2
SCHEMBL3252589 0.86 GPR119 (0.41) GPR119CYP2C9KCNH2GPR6ERBB2
SCHEMBL3253994 0.83 ACACB (0.42) GPR119ERBB2
SCHEMBL3252397 0.83 GPR6 (0.45) GPR119GPR6
SCHEMBL14458861 0.83 GPR119 (0.58) GPR119CYP2C9KCNH2
SCHEMBL3257201 0.83 GPR119 (0.41) GPR119CYP2C9KCNH2GPR6ERBB2

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