SCHEMBL461358

SCHEMBL461358

C[C@H](Oc1cnc(N2C[C@H](c3cc(F)c(F)cc3F)[C@@H](N)C2)nc1)C1CCN(c2nc([C@@](C)(O)C3CC3)no2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.40
DPP7 Q9UHL4 17/20 0.40
DPP8 Q6V1X1 14/20 0.40
DPP9 Q86TI2 12/20 0.40
CYP2D6 P10635 2/20 0.39
KCNH2 Q12809 2/20 0.39
ALOX5AP P20292 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
SCHEMBL470589 0.94 DPP4 (0.42) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL470685 0.90 DPP4 (0.40) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL470905 0.89 GPR119 (0.33) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL470798 0.86 DPP4 (0.32) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL470577 0.86 DPP4 (0.41) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL470633 0.86 DPP4 (0.41) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL470656 0.85 ALOX5AP (0.34) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL470668 0.84 ALOX5AP (0.32) ALOX5AP
SCHEMBL470666 0.84 DPP4 (0.40) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL470692 0.84 MCHR1 (0.36) DPP4DPP7DPP8DPP9CYP2D6

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