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SCHEMBL470798

SCHEMBL470798

C[C@H](Oc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)c(F)cc3F)C2)nc1)C1CCN(c2nc(C(C)(O)C3CC3)no2)CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.32
▸ DPP8 Q6V1X1 3/20 0.32
▸ DPP7 Q9UHL4 3/20 0.32
▸ DPP9 Q86TI2 2/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ GPR119 Q8TDV5 5/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ KCNE1 P15382 1/20 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
SCHEMBL12064745 0.93 NTRK1 (0.34) NR1H2GPR119KCNH2ALOX5APEGFR
SCHEMBL12064985 0.90 DPP4 (0.33) DPP4DPP8DPP7DPP9NR1H2
SCHEMBL470905 0.89 GPR119 (0.33) DPP4DPP8DPP7DPP9GPR119
SCHEMBL470523 0.88 NTRK1 (0.35) NR1H2GPR119KCNH2ALOX5AP
SCHEMBL12064814 0.87 NR1H2 (0.33) NR1H2GPR119KCNH2ALOX5APEGFR
SCHEMBL12064592 0.86 NR1H2 (0.31) DPP4DPP8DPP7DPP9NR1H2
SCHEMBL461358 0.86 DPP4 (0.40) DPP4DPP8DPP7DPP9KCNH2
SCHEMBL12064744 0.85 NTRK1 (0.34) NR1H2GPR119KCNH2ALOX5APEGFR
SCHEMBL461775 0.84 OPRK1 (0.31) NR1H2
SCHEMBL470918 0.84 GPR119 (0.33) DPP4DPP8DPP7DPP9GPR119

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