SCHEMBL1380732

SCHEMBL1380732

C#CC1CCC(C#N)N1C(=O)CNC1CC1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.89
DPP9 Q86TI2 2/20 0.60
DPP8 Q6V1X1 2/20 0.50

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
SCHEMBL4705700 1.00 DPP4 (0.89) DPP4DPP9DPP8
SCHEMBL646369 1.00 DPP4 (0.89) DPP4DPP9DPP8
SCHEMBL4705704 1.00 DPP4 (0.89) DPP4DPP9DPP8
SCHEMBL5668087 0.94 DPP4 (1.00) DPP4DPP9DPP8
SCHEMBL647441 0.94 DPP4 (1.00) DPP4DPP9DPP8
SCHEMBL1377505 0.94 DPP4 (1.00) DPP4DPP9DPP8
SCHEMBL646165 0.94 DPP4 (1.00) DPP4DPP9DPP8
SCHEMBL1379863 0.94 DPP4 (0.94) DPP4DPP9DPP8
SCHEMBL646976 0.94 DPP4 (0.94) DPP4DPP9DPP8
SCHEMBL1380419 0.93 DPP4 (1.00) DPP4DPP9DPP8

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