SCHEMBL470656

SCHEMBL470656

Cc1ccc(F)c([C@H]2CN(c3ncc(O[C@@H](C)C4CCN(c5nc(C(C)(C)O)no5)CC4)cn3)C[C@@H]2N)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.34
DPP4 P27487 12/20 0.34
DPP7 Q9UHL4 9/20 0.34
DPP8 Q6V1X1 5/20 0.34
DPP9 Q86TI2 3/20 0.34
GPR119 Q8TDV5 5/20 0.33
KCNH2 Q12809 5/20 0.33
CYP2D6 P10635 3/20 0.33
EGFR P00533 1/20 0.32
KCNE1 P15382 1/20 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
SCHEMBL470589 0.91 DPP4 (0.42) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL470907 0.89 GPR119 (0.40) DPP4DPP7DPP8GPR119KCNH2
SCHEMBL470902 0.88 DPP4 (0.34) DPP4DPP7DPP8DPP9GPR119
SCHEMBL470692 0.88 MCHR1 (0.36) ALOX5APDPP4DPP7DPP8DPP9
SCHEMBL12064750 0.88 MCHR1 (0.36) ALOX5APDPP4DPP7DPP8DPP9
SCHEMBL12064814 0.86 NR1H2 (0.33) ALOX5APGPR119KCNH2EGFRKCNE1
SCHEMBL461358 0.85 DPP4 (0.40) ALOX5APDPP4DPP7DPP8DPP9
SCHEMBL470685 0.84 DPP4 (0.40) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL461833 0.82 MCHR1 (0.36) DPP4DPP7DPP8DPP9GPR119
SCHEMBL470695 0.81 DPP4 (0.39) DPP4DPP7DPP8DPP9GPR119

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