SCHEMBL3404667

SCHEMBL3404667

CC(C)(CC(=O)N1CCC[C@H]1COC(=O)C(F)(F)F)C(N)C(=O)N1CCCC1C#N

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.78
DPP8 Q6V1X1 15/20 0.78
DPP9 Q86TI2 1/20 0.54

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
SCHEMBL2396924 1.00 DPP4 (0.78) DPP4DPP8DPP9
Trifluoroacetic Acid SCHEMBL2399082 0.88 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL8007575 0.87 DPP4 (0.89) DPP4DPP8DPP9
Trifluoroacetic Acid SCHEMBL2396920 0.85 DPP4 (0.81) DPP4DPP8DPP9
SCHEMBL7995580 0.84 DPP4 (0.71) DPP4DPP8DPP9
SCHEMBL3406474 0.83 DPP4 (0.76) DPP4DPP8DPP9
SCHEMBL2398412 0.83 DPP4 (0.76) DPP4DPP8DPP9
SCHEMBL3426660 0.76 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL13525327 0.74 DPP4 (0.75) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5068240 0.73 DPP4 (0.73) DPP4DPP8DPP9

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