SCHEMBL5227446

SCHEMBL5227446

N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1CC1CC1)Cc1cc(F)c(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP7 Q9UHL4 17/20 1.00
DPP8 Q6V1X1 10/20 1.00
DPP9 Q86TI2 7/20 1.00

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
SCHEMBL5227962 0.89 DPP4 (0.80) DPP4DPP7DPP8DPP9
SCHEMBL5232810 0.87 DPP4 (0.84) DPP4DPP7DPP8DPP9
SCHEMBL5230578 0.86 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL21068052 0.86 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL21068050 0.86 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL5227098 0.86 DPP4 (0.75) DPP4DPP7DPP8DPP9
SCHEMBL14431703 0.86 DPP4 (0.75) DPP4DPP7DPP8DPP9
SCHEMBL5229043 0.84 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL5225939 0.84 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL8340200 0.84 DPP4 (1.00) DPP4DPP7DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390809-B2 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for diabetes MERCK & CO., INC. (US) 2008-06-24 US disclosed
EP-1554280-B1 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO INC (US) 2007-08-15 EP disclosed
EP-1554280-B1 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO INC (US) 2007-08-15 EP disclosed
WO-2004032836-A2 ANTIDIABETIC BETA-AMINO HETEROCYLCIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO disclosed