SCHEMBL470550

SCHEMBL470550

C[C@H](Oc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)c(F)cc3F)C2)nc1)C1CCN(/C(N)=N/O)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.35
DPP7 Q9UHL4 7/20 0.35
DPP8 Q6V1X1 6/20 0.35
DPP9 Q86TI2 4/20 0.35
NR1H2 P55055 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
GRM4 Q14833 1/20 0.32
PARP1 P09874 1/20 0.32
MC4R P32245 2/20 0.31
PDE4B Q07343 2/20 0.31
RET P07949 3/20 0.31

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 0.88 DPP4 (0.34) DPP4DPP7DPP8DPP9NR1H2
SCHEMBL458009 0.86 DPP4 (0.35) DPP4DPP7DPP8DPP9NR1H2
SCHEMBL12064985 0.83 DPP4 (0.33) DPP4DPP7DPP8DPP9NR1H2
SCHEMBL470798 0.80 DPP4 (0.32) DPP4DPP7DPP8DPP9NR1H2
SCHEMBL152374 0.80 GPR119 (0.39) DPP4GPR119
SCHEMBL470805 0.80 DPP4 (0.32) DPP4DPP7DPP8DPP9NR1H2
SCHEMBL12064592 0.79 NR1H2 (0.31) DPP4DPP7DPP8DPP9NR1H2
SCHEMBL460032 0.79 NTRK1 (0.38) RET
SCHEMBL470601 0.79 NTRK1 (0.38) NR1H2GRM4RET
SCHEMBL12064782 0.78 PDE4B (0.42) DPP4DPP8DPP9NR1H2KCNH2

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