SCHEMBL470688

SCHEMBL470688

CC(C)c1noc(N2CCC(COc3cnc(N4C[C@H](c5cc(F)ccc5F)[C@@H](N)C4)nc3N)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.46
GPR183 P32249 1/20 0.43
MCHR1 Q99705 3/20 0.39
KCNH2 Q12809 4/20 0.38
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL470604 0.91 GPR119 (0.49) GPR119GPR183MCHR1KCNH2DPP4
SCHEMBL470689 0.86 GPR119 (0.45) GPR119GPR183MCHR1KCNH2DPP4
SCHEMBL12064715 0.85 MCHR1 (0.52) GPR119GPR183MCHR1KCNH2DPP4
SCHEMBL12064830 0.85 GPR119 (0.41) GPR119GPR183MCHR1KCNH2DPP4
SCHEMBL470648 0.84 GPR119 (0.49) GPR119GPR183MCHR1KCNH2DPP4
SCHEMBL470621 0.84 GPR119 (0.50) GPR119GPR183MCHR1KCNH2DPP4
SCHEMBL470653 0.83 GPR119 (0.43) GPR119GPR183MCHR1KCNH2DPP4
SCHEMBL470613 0.82 GPR119 (0.49) GPR119GPR183MCHR1KCNH2DPP4
SCHEMBL470629 0.82 GPR119 (0.45) GPR119GPR183MCHR1KCNH2DPP4
SCHEMBL470636 0.82 MCHR1 (0.37) GPR119MCHR1KCNH2DPP4DPP8

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