SCHEMBL470577

SCHEMBL470577

C[C@H](O)c1noc(N2CCC([C@H](C)Oc3cnc(N4C[C@H](c5cc(F)c(F)cc5F)[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.41
DPP7 Q9UHL4 14/20 0.41
DPP8 Q6V1X1 14/20 0.41
DPP9 Q86TI2 12/20 0.41
CYP2D6 P10635 2/20 0.39
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 1/20 0.35

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
SCHEMBL470633 1.00 DPP4 (0.41) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL461833 0.92 MCHR1 (0.36) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL12064555 0.89 GPR119 (0.35) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL470589 0.88 DPP4 (0.42) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL470666 0.87 DPP4 (0.40) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL470685 0.86 DPP4 (0.40) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL461358 0.86 DPP4 (0.40) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL12064758 0.85 DPP4 (0.40) DPP4DPP7DPP8DPP9CYP2D6
Hydrochloric Acid SCHEMBL462056 0.85 DPP4 (0.40) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL470907 0.85 GPR119 (0.40) DPP4DPP7DPP8CYP2D6KCNH2

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