SCHEMBL5221879

SCHEMBL5221879

CC(C)(C)OC(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C1CCC(c2ccccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.51
FAP Q12884 2/20 0.46
DPP7 Q9UHL4 3/20 0.44
DPP8 Q6V1X1 3/20 0.44
PREP P48147 3/20 0.44
DPP9 Q86TI2 1/20 0.41

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
SCHEMBL5667975 1.00 DPP4 (0.51) DPP4FAPDPP7DPP8PREP
SCHEMBL5224577 0.88 DPP4 (0.47) DPP4FAPDPP7DPP8PREP
SCHEMBL5217855 0.83 DPP4 (0.48) DPP4FAPDPP7DPP8DPP9
SCHEMBL5220299 0.83 DPP4 (0.45) DPP4FAPDPP7DPP8DPP9
SCHEMBL5221875 0.81 DPP4 (0.48) DPP4
SCHEMBL5221665 0.80 HSD11B1 (0.41)
SCHEMBL5221882 0.77 DPP4 (0.40) DPP4FAPDPP7DPP8PREP
SCHEMBL7064555 0.76 DPP4 (0.50) DPP4FAPDPP7DPP8DPP9
SCHEMBL7064553 0.76 DPP4 (0.50) DPP4FAPDPP7DPP8DPP9
SCHEMBL5206434 0.76 DPP4 (0.63) DPP4FAPDPP7DPP8PREP

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-1399433-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
US-7183290-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-02-27 US disclosed