SCHEMBL1381189

SCHEMBL1381189

C#CC1CCC(C#N)N1C(=O)[C@H](N)C1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 1.00
DPP8 Q6V1X1 4/20 1.00
DPP9 Q86TI2 1/20 0.57
DPP7 Q9UHL4 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
SCHEMBL646106 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL6509107 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL6509114 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL5630098 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL647289 0.99 DPP4 (1.00) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL6202940 0.99 DPP4 (0.97) DPP4DPP8DPP9DPP7
SCHEMBL647777 0.99 DPP4 (1.00) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL648148 0.99 DPP4 (0.97) DPP4DPP8DPP9DPP7
SCHEMBL1380985 0.99 DPP4 (1.00) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL6204784 0.97 DPP4 (0.97) 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 5 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
EP-1560811-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP disclosed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 WO disclosed