SCHEMBL5529957

SCHEMBL5529957

CC(C)(C)C(=O)N[C@@H](CC(=O)N1CCC[C@H]1C#N)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.59
DPP8 Q6V1X1 9/20 0.59
DPP7 Q9UHL4 1/20 0.54
PREP P48147 1/20 0.53
DPP9 Q86TI2 1/20 0.50

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
SCHEMBL5530143 0.87 DPP4 (0.59) DPP4DPP8DPP7PREP
SCHEMBL720421 0.78 DPP4 (0.63) DPP4DPP8DPP7PREPDPP9
SCHEMBL720420 0.78 DPP4 (0.63) DPP4DPP8DPP7PREPDPP9
SCHEMBL6685692 0.77 DPP4 (0.46) DPP4DPP8DPP7PREPDPP9
SCHEMBL6692174 0.77 DPP4 (0.58) DPP4DPP8DPP7PREPDPP9
SCHEMBL6692042 0.75 DPP4 (0.46) DPP4DPP8PREPDPP9
SCHEMBL6684500 0.74 DPP4 (0.57) DPP4DPP8DPP7PREPDPP9
SCHEMBL6684495 0.74 DPP4 (0.57) DPP4DPP8DPP7PREPDPP9
SCHEMBL3554544 0.74 DPP4 (1.00) DPP4DPP8DPP7PREP
SCHEMBL3554547 0.74 DPP4 (1.00) DPP4DPP8DPP7PREP

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-1760076-A1 FAP Inhibitors FERRING B.V. (NL) 2007-03-07 EP claimed
EP-1760076-A1 FAP Inhibitors FERRING B.V. (NL) 2007-03-07 EP disclosed