SCHEMBL459780

SCHEMBL459780

CC(C)(C)OC(=O)NC1CN(c2ncc(OCCC3CCN(c4nnn(C5CCOC5)n4)CC3)cn2)CC1c1cc(F)c(F)cc1F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.32
GPR119 Q8TDV5 3/20 0.32
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
RET P07949 4/20 0.30
SCN9A Q15858 1/20 0.30
PDE10A Q9Y233 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
EIF2AK4 Q9P2K8 1/20 0.30

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
SCHEMBL470805 0.89 DPP4 (0.32) PIK3R1PIK3CARETDPP4DPP8
SCHEMBL458011 0.81 ACACB (0.35) ACACBGPR119RETDPP4DPP8
SCHEMBL457629 0.80 GPR119 (0.35) ACACBGPR119RETSCN9ADPP4
SCHEMBL470475 0.76 GPR119 (0.38) ACACBGPR119DPP4DPP8DPP9
SCHEMBL12064854 0.75 DPP4 (0.31) DPP4
SCHEMBL12064617 0.75 DPP4 (0.31) DPP4
SCHEMBL470590 0.74 NTRK1 (0.38) ACACBGPR119RET
SCHEMBL462498 0.74 RET (0.40) GPR119RETDPP4DPP8DPP9
SCHEMBL12064792 0.74 GPR119 (0.45) ACACBGPR119
SCHEMBL460034 0.74 CHRM2 (0.38) ACACBRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed