SCHEMBL462540

SCHEMBL462540

CCc1noc(N2CCC([C@H](C)Oc3cnc(N4C[C@H](c5cc(CF)ccc5F)[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.34
MCHR1 Q99705 5/20 0.34
GPR119 Q8TDV5 5/20 0.34
DPP9 Q86TI2 5/20 0.34
KCNH2 Q12809 4/20 0.34
DPP8 Q6V1X1 4/20 0.34
EGFR P00533 1/20 0.31
KCNE1 P15382 1/20 0.31
DPP7 Q9UHL4 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
SCHEMBL470695 0.92 DPP4 (0.39) DPP4MCHR1GPR119DPP9KCNH2
SCHEMBL470902 0.91 DPP4 (0.34) DPP4MCHR1GPR119DPP9KCNH2
SCHEMBL12064853 0.89 ALDH1A1 (0.34) DPP4MCHR1GPR119DPP9KCNH2
SCHEMBL470671 0.85 MCHR1 (0.37) DPP4MCHR1GPR119DPP9KCNH2
SCHEMBL470636 0.83 MCHR1 (0.37) DPP4MCHR1GPR119DPP9KCNH2
SCHEMBL470666 0.82 DPP4 (0.40) DPP4MCHR1DPP9KCNH2DPP8
SCHEMBL470907 0.81 GPR119 (0.40) DPP4GPR119KCNH2DPP8DPP7
SCHEMBL470662 0.81 GPR119 (0.33) DPP4GPR119DPP9KCNH2DPP8
SCHEMBL461833 0.81 MCHR1 (0.36) DPP4MCHR1GPR119DPP9KCNH2
SCHEMBL122282 0.80 DPP4 (0.39) DPP4MCHR1DPP9KCNH2DPP8

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 2 patents. 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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed