SCHEMBL8353579

SCHEMBL8353579

N[C@H](C(=O)N1C[C@@H](F)C[C@H]1N)C(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.55
FAP Q12884 10/20 0.44
DPP8 Q6V1X1 9/20 0.44
DPP9 Q86TI2 9/20 0.44
DPP7 Q9UHL4 8/20 0.44
OPRD1 P41143 1/20 0.39

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
SCHEMBL5549926 0.82 DPP4 (0.80) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL3157260 0.81 DPP4 (0.79) DPP4FAPDPP8DPP9DPP7
SCHEMBL8354845 0.77 DPP4 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL14364704 0.76 DPP4 (0.47) DPP4FAPDPP8DPP9DPP7
SCHEMBL14648443 0.74 DPP4 (0.69) DPP4FAPDPP8DPP9DPP7
Denagliptin SCHEMBL2552817 0.71 DPP4 (1.00) DPP4FAPDPP8DPP9DPP7
Denagliptin SCHEMBL987759 0.71 DPP4 (1.00) DPP4FAPDPP8DPP9DPP7
Denagliptin SCHEMBL682185 0.71 DPP4 (1.00) DPP4FAPDPP8DPP9DPP7
Denagliptin SCHEMBL1035624 0.71 DPP4 (1.00) DPP4FAPDPP8DPP9DPP7
Denagliptin SCHEMBL18815071 0.71 DPP4 (1.00) DPP4FAPDPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862457-A2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SmithKline Beecham Corporation (US) 2007-12-05 EP disclosed
EP-1406873-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-09-26 EP disclosed
WO-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO disclosed