SCHEMBL1377591

SCHEMBL1377591

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 0.70
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
SCHEMBL647591 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL1832790 0.86 DPP4 (0.75) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL1832792 0.86 DPP4 (0.75) DPP4DPP8DPP9DPP7
SCHEMBL6203680 0.83 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL5632524 0.83 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL649117 0.83 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL1377461 0.83 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL1381189 0.82 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL6509107 0.82 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL6509114 0.82 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 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