SCHEMBL3164131

SCHEMBL3164131

N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1ccncc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.81
FAP Q12884 13/20 0.81
DPP8 Q6V1X1 12/20 0.81
DPP9 Q86TI2 12/20 0.81
DPP7 Q9UHL4 11/20 0.81

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
SCHEMBL6752305 1.00 DPP4 (0.81) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL6752064 0.99 DPP4 (0.79) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL3156152 0.99 DPP4 (0.79) DPP4FAPDPP8DPP9DPP7
SCHEMBL3164844 0.88 DPP4 (0.77) DPP4FAPDPP8DPP9DPP7
SCHEMBL6755212 0.88 DPP4 (0.77) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL3158044 0.87 DPP4 (0.75) DPP4FAPDPP8DPP9DPP7
SCHEMBL13525326 0.84 DPP4 (0.60) DPP4FAPDPP8DPP9DPP7
SCHEMBL3164069 0.79 DPP4 (1.00) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL3160950 0.78 DPP4 (0.98) DPP4FAPDPP8DPP9DPP7
SCHEMBL3166231 0.78 DPP4 (1.00) DPP4FAPDPP7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862457-B1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORP (US) 2010-01-20 EP claimed
EP-1406873-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-14 EP claimed
WO-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO claimed
EP-1406873-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-09-26 EP disclosed
EP-1406873-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-14 EP disclosed
WO-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO disclosed
WO-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO disclosed