SCHEMBL1377435

SCHEMBL1377435

CC#CC1CCC(C#N)N1C(=O)[C@H](N)CC(C)C

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.74
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 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
SCHEMBL647882 1.00 DPP4 (0.74) DPP4DPP8DPP9DPP7
SCHEMBL1377430 1.00 DPP4 (0.74) DPP4DPP8DPP9DPP7
SCHEMBL647881 1.00 DPP4 (0.74) DPP4DPP8DPP9DPP7
SCHEMBL647510 0.85 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL647511 0.85 DPP4 (1.00) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL646917 0.84 DPP4 (0.97) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL646918 0.84 DPP4 (0.97) DPP4DPP8DPP9DPP7
SCHEMBL647905 0.83 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL647567 0.83 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL647904 0.83 DPP4 (1.00) DPP4DPP8DPP9DPP7

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
JP-4712387-B2 2011-06-29 JP claimed
EP-1560811-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP claimed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 WO claimed