SCHEMBL5549926

SCHEMBL5549926

N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)C(c1ccccc1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.80
DPP8 Q6V1X1 9/20 0.66
DPP9 Q86TI2 9/20 0.66
FAP Q12884 8/20 0.66
DPP7 Q9UHL4 7/20 0.66

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
Hydrochloric Acid SCHEMBL3157260 0.99 DPP4 (0.79) DPP4DPP8DPP9FAPDPP7
Denagliptin SCHEMBL2552817 0.89 DPP4 (1.00) DPP4DPP8DPP9FAPDPP7
Denagliptin SCHEMBL18815071 0.89 DPP4 (1.00) DPP4DPP8DPP9FAPDPP7
Denagliptin SCHEMBL682185 0.89 DPP4 (1.00) DPP4DPP8DPP9FAPDPP7
Denagliptin SCHEMBL987759 0.89 DPP4 (1.00) DPP4DPP8DPP9FAPDPP7
Denagliptin SCHEMBL1035624 0.89 DPP4 (1.00) DPP4DPP8DPP9FAPDPP7
Denagliptin SCHEMBL3151455 0.88 DPP4 (0.98) DPP4DPP8DPP9FAPDPP7
SCHEMBL13986697 0.84 DPP4 (0.89) DPP4DPP8DPP9FAPDPP7
SCHEMBL8353579 0.82 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
SCHEMBL14421527 0.80 DPP4 (0.68) DPP4DPP8DPP9FAPDPP7

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-1406873-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-09-26 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