SCHEMBL5218985

SCHEMBL5218985

N#Cc1ccc(N2CC[C@H](NCC(=O)N3C[C@@H](F)C[C@H]3C#N)C2)nc1

nearest known ligand 0.91

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.91
DPP8 Q6V1X1 9/20 0.75
DPP7 Q9UHL4 9/20 0.75
DPP9 Q86TI2 6/20 0.75
PREP P48147 6/20 0.59

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 SCHEMBL5216234 0.95 DPP4 (0.83) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635508 0.85 DPP4 (1.00) DPP4DPP8DPP7DPP9PREP
SCHEMBL4635510 0.85 DPP4 (1.00) DPP4DPP8DPP7DPP9PREP
SCHEMBL12921251 0.83 DPP4 (1.00) DPP4DPP8DPP7DPP9PREP
SCHEMBL6605407 0.83 DPP4 (1.00) DPP4DPP8DPP7DPP9PREP
SCHEMBL5215649 0.83 DPP4 (1.00) DPP4DPP8DPP7DPP9PREP
Hydrochloric Acid SCHEMBL5218591 0.82 DPP4 (0.98) DPP4DPP8DPP7DPP9PREP
Hydrochloric Acid SCHEMBL6701714 0.80 DPP4 (0.74) DPP4DPP8DPP7DPP9
SCHEMBL8295116 0.79 DPP4 (0.71) DPP4DPP8DPP7DPP9PREP
SCHEMBL3830920 0.79 DPP4 (0.75) DPP4DPP8DPP7DPP9PREP

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-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