SCHEMBL5050813

SCHEMBL5050813

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.43
EGFR P00533 7/20 0.40
ERBB2 P04626 6/20 0.37
GPR6 P46095 3/20 0.37
CYP2C9 P11712 2/20 0.37
KCNH2 Q12809 2/20 0.37
RIPK2 O43353 2/20 0.36
RET P07949 2/20 0.36
EPHB2 P29323 2/20 0.36
EPHB4 P54760 2/20 0.36
EPHA4 P54764 2/20 0.36
RIPK3 Q9Y572 2/20 0.36
GAK O14976 1/20 0.36
LYN P07948 1/20 0.36
EPHA1 P21709 1/20 0.36
ERBB3 P21860 1/20 0.36
EPHA2 P29317 1/20 0.36
EPHA5 P54756 1/20 0.36
ADK P55263 1/20 0.36
PTK6 Q13882 1/20 0.36

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
SCHEMBL5822810 0.93 GPR119 (0.45) GPR119EGFRERBB2GPR6CYP2C9
SCHEMBL389661 0.90 GPR119 (0.56) GPR119CYP2C9KCNH2
SCHEMBL3254476 0.86 GPR119 (0.45) GPR119ERBB2GPR6CYP2C9KCNH2
SCHEMBL14458861 0.83 GPR119 (0.58) GPR119CYP2C9KCNH2
SCHEMBL389581 0.82 GPR119 (0.52) GPR119EGFRCYP2C9KCNH2
SCHEMBL1068766 0.82 EGFR (0.43) EGFRERBB2GPR6KCNH2RIPK2
SCHEMBL390717 0.81 GPR119 (0.53) GPR119CYP2C9KCNH2
SCHEMBL3154259 0.80 GPR119 (0.68) GPR119CYP2C9KCNH2
SCHEMBL5818269 0.79 EGFR (0.44) EGFRERBB2GPR6KCNH2RIPK2
SCHEMBL3867879 0.79 SMN1; SMN2 (0.40) GPR119EGFRERBB2CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004157-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed
EP-1732562-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-12-20 EP disclosed
WO-2006083491-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed