SCHEMBL2472452

SCHEMBL2472452

CS(=O)(=O)Nc1ccc2c(c1)nc1n2C[C@H](OC(N)=O)[C@@H](c2cc(F)c(F)cc2F)C1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.70
DPP7 Q9UHL4 13/20 0.70
KCNH2 Q12809 5/20 0.70
DPP9 Q86TI2 5/20 0.70
DPP8 Q6V1X1 2/20 0.54
CYP2D6 P10635 4/20 0.53
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL13342409 0.85 DPP4 (0.87) DPP4DPP7KCNH2DPP9DPP8
SCHEMBL3535584 0.85 DPP4 (0.87) DPP4DPP7KCNH2DPP9DPP8
SCHEMBL2471776 0.84 DPP4 (0.55) DPP4DPP7KCNH2DPP9DPP8
SCHEMBL3533164 0.83 DPP4 (0.72) DPP4DPP7KCNH2DPP9DPP8
Trifluoroacetic Acid SCHEMBL2467033 0.82 DPP4 (1.00) DPP4DPP7KCNH2DPP9DPP8
SCHEMBL2470438 0.80 DPP4 (0.51) DPP4DPP7KCNH2DPP9DPP8
SCHEMBL2472453 0.73 DPP4 (0.42) DPP4DPP7KCNH2DPP9CYP2D6
SCHEMBL21067325 0.71 DPP4 (1.00) DPP4DPP7KCNH2DPP9DPP8
SCHEMBL8259100 0.71 DPP4 (1.00) DPP4DPP7KCNH2DPP9DPP8
SCHEMBL3532200 0.68 DPP4 (0.58) DPP4DPP7KCNH2DPP9DPP8

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
EP-1819674-B1 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed