SCHEMBL3166231

SCHEMBL3166231

CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
FAP Q12884 10/20 0.81
DPP7 Q9UHL4 3/20 0.80

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 SCHEMBL3151597 0.99 DPP4 (0.98) DPP4FAPDPP7
SCHEMBL3164300 0.91 DPP4 (1.00) DPP4FAPDPP7
SCHEMBL3160316 0.90 DPP4 (1.00) DPP4FAPDPP7
Hydrochloric Acid SCHEMBL5549130 0.90 DPP4 (0.98) DPP4FAPDPP7
SCHEMBL3159890 0.90 DPP4 (1.00) DPP4FAPDPP7
Hydrochloric Acid SCHEMBL3160256 0.90 DPP4 (0.98) DPP4FAPDPP7
SCHEMBL8353910 0.90 DPP4 (1.00) DPP4FAPDPP7
SCHEMBL3151238 0.90 DPP4 (1.00) DPP4FAPDPP7
Hydrochloric Acid SCHEMBL3151403 0.90 DPP4 (0.98) DPP4FAPDPP7
Hydrochloric Acid SCHEMBL3259953 0.90 DPP4 (0.98) 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 5 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-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