SCHEMBL3406474

SCHEMBL3406474

N#CC1CCCN1C(=O)C(N)CCC(=O)N1CCC[C@H]1COC(=O)C(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.76
DPP8 Q6V1X1 20/20 0.76
DPP7 Q9UHL4 8/20 0.57
DPP9 Q86TI2 1/20 0.52

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
SCHEMBL2398412 1.00 DPP4 (0.76) DPP4DPP8DPP7DPP9
Trifluoroacetic Acid SCHEMBL2403603 0.87 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL8010909 0.85 DPP4 (0.87) DPP4DPP8DPP7DPP9
Trifluoroacetic Acid SCHEMBL2398411 0.84 DPP4 (0.79) DPP4DPP8DPP7
SCHEMBL2396924 0.83 DPP4 (0.78) DPP4DPP8DPP9
SCHEMBL3404667 0.83 DPP4 (0.78) DPP4DPP8DPP9
SCHEMBL8007572 0.82 DPP4 (0.67) DPP4DPP8DPP7DPP9
Trifluoroacetic Acid SCHEMBL2400454 0.79 DPP4 (0.77) DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL3403495 0.79 DPP4 (0.77) DPP4DPP8DPP7
SCHEMBL7995578 0.77 DPP4 (0.64) DPP4DPP8DPP7DPP9

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
EP-2252582-A2 PYRROLIDINE DERIVATIVES National Health Research Institutes (TW) 2010-11-24 EP disclosed
WO-2009111239-A2 PYRROLIDINE DERIVATIVES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-09-11 WO disclosed