SCHEMBL1380985

SCHEMBL1380985

C#CC1CCC(C#N)N1C(=O)[C@H](N)C1CCCCC1

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 0.97
DPP7 Q9UHL4 1/20 0.58
DPP9 Q86TI2 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
SCHEMBL647777 1.00 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL647289 1.00 DPP4 (1.00) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL6204784 0.99 DPP4 (0.97) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL645710 0.99 DPP4 (0.97) DPP4DPP8DPP7DPP9
SCHEMBL6509107 0.99 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL1381189 0.99 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL6509114 0.99 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL646106 0.99 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL5630098 0.99 DPP4 (1.00) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL648148 0.97 DPP4 (0.97) DPP4DPP8DPP7DPP9

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