SCHEMBL5224689

SCHEMBL5224689

CC(C)S(=O)(=O)N1CC(NCC(=O)N2C[C@@H](F)C[C@H]2C#N)C1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.67
DPP8 Q6V1X1 1/20 0.56
DPP9 Q86TI2 1/20 0.56

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
Trifluoroacetic Acid SCHEMBL5220522 0.94 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL14587278 0.92 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL14587279 0.92 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL5215962 0.90 DPP4 (0.69) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5148938 0.89 DPP4 (0.68) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5510013 0.89 DPP4 (0.68) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5510024 0.89 DPP4 (0.68) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5510011 0.89 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL14587272 0.81 DPP4 (0.57) DPP4DPP8DPP9
SCHEMBL14587273 0.81 DPP4 (0.57) DPP4DPP8DPP9

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 5 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 claimed
US-7183290-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-02-27 US disclosed
US-7183290-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-02-27 US disclosed
EP-1399433-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-24 EP disclosed
WO-2003002553-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO disclosed