SCHEMBL3254182

SCHEMBL3254182

CCCOc1cc(C)c(Nc2nccc(OC3CCN(OC(=O)OC(C)C)CC3)c2OC)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.39
ERBB2 P04626 8/20 0.37
EGFR P00533 4/20 0.37
GPR119 Q8TDV5 2/20 0.36
GPR6 P46095 2/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
JAK2 O60674 1/20 0.35
GAK O14976 1/20 0.35
RIPK2 O43353 1/20 0.35
LYN P07948 1/20 0.35
RET P07949 1/20 0.35
EPHA1 P21709 1/20 0.35
ERBB3 P21860 1/20 0.35
EPHA2 P29317 1/20 0.35
EPHB2 P29323 1/20 0.35
EPHA5 P54756 1/20 0.35
EPHB4 P54760 1/20 0.35
EPHA4 P54764 1/20 0.35
ADK P55263 1/20 0.35

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
SCHEMBL3246691 0.94 ACACB (0.40) ACACBERBB2EGFRGPR119GPR6
SCHEMBL388085 0.90 GPR119 (0.46) EGFRGPR119CYP2C9KCNH2
SCHEMBL3253994 0.88 ACACB (0.42) ACACBERBB2EGFRGPR119
SCHEMBL390593 0.84 GPR119 (0.46) ERBB2EGFRGPR119CYP2C9KCNH2
SCHEMBL3252343 0.83 ACACB (0.44) ACACBERBB2EGFR
SCHEMBL3252644 0.82 ACACB (0.39) ACACBERBB2GPR119GPR6CYP2C9
SCHEMBL3252680 0.81 GPR119 (0.39) ACACBERBB2EGFRGPR119GPR6
SCHEMBL3252397 0.80 GPR6 (0.45) GPR119GPR6
SCHEMBL3251839 0.79 GPR119 (0.44) ACACBGPR119CYP2C9KCNH2
SCHEMBL5818269 0.79 EGFR (0.44) ERBB2EGFRGPR6KCNH2GAK

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