SCHEMBL457629

SCHEMBL457629

CC(C)(C)OC(=O)NC1CN(c2ncc(OCCC3CCN(C(=N)NO)CC3)cn2)CC1c1cc(F)c(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.35
SCN9A Q15858 1/20 0.35
ACACB O00763 2/20 0.34
CHEK2 O96017 1/20 0.34
F2R P25116 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
RET P07949 6/20 0.32

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
SCHEMBL457627 0.87 DPP4 (0.34) GPR119F2RDPP4DPP8DPP9
SCHEMBL458011 0.86 ACACB (0.35) GPR119ACACBCHEK2F2RDPP4
SCHEMBL459423 0.86 GPR119 (0.41) GPR119F2RRET
SCHEMBL457195 0.80 PDE4B (0.42) GPR119
SCHEMBL152374 0.80 GPR119 (0.39) GPR119DPP4
SCHEMBL459780 0.80 ACACB (0.32) GPR119SCN9AACACBDPP4DPP8
SCHEMBL460034 0.79 CHRM2 (0.38) ACACBRET
SCHEMBL462498 0.78 RET (0.40) GPR119DPP4DPP8DPP9DPP7
SCHEMBL459391 0.78 PDE4B (0.42) GPR119
SCHEMBL458181 0.78 PDE4B (0.43) GPR119

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