SCHEMBL470692

SCHEMBL470692

CC[C@@](C)(O)c1noc(N2CCC([C@H](C)Oc3cnc(N4C[C@H](c5cc(F)ccc5F)[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
DPP4 P27487 8/20 0.35
DPP8 Q6V1X1 6/20 0.35
KCNH2 Q12809 5/20 0.35
DPP9 Q86TI2 4/20 0.35
ALOX5AP P20292 4/20 0.35
GPR119 Q8TDV5 6/20 0.33
EGFR P00533 1/20 0.33
KCNE1 P15382 1/20 0.33
DPP7 Q9UHL4 5/20 0.33
CYP2D6 P10635 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
SCHEMBL12064750 1.00 MCHR1 (0.36) MCHR1DPP4DPP8KCNH2DPP9
SCHEMBL470656 0.88 ALOX5AP (0.34) DPP4DPP8KCNH2DPP9ALOX5AP
SCHEMBL470695 0.87 DPP4 (0.39) MCHR1DPP4DPP8KCNH2DPP9
SCHEMBL12064744 0.86 NTRK1 (0.34) KCNH2ALOX5APGPR119EGFRKCNE1
SCHEMBL461833 0.86 MCHR1 (0.36) MCHR1DPP4DPP8KCNH2DPP9
SCHEMBL470589 0.86 DPP4 (0.42) DPP4DPP8KCNH2DPP9DPP7
SCHEMBL470671 0.86 MCHR1 (0.37) MCHR1DPP4DPP8KCNH2DPP9
SCHEMBL462919 0.85 GPR119 (0.36) MCHR1DPP4DPP8KCNH2DPP9
SCHEMBL470603 0.84 MCHR1 (0.36) MCHR1DPP4DPP8KCNH2DPP9
SCHEMBL461358 0.84 DPP4 (0.40) DPP4DPP8KCNH2DPP9ALOX5AP

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