SCHEMBL1380907

SCHEMBL1380907

C#CC1CCC(C#N)N1C(=O)CNCCCCC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.58

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
SCHEMBL647265 1.00 DPP4 (0.58) DPP4
SCHEMBL645779 0.83 DPP4 (0.56) DPP4
SCHEMBL646217 0.82 DPP4 (0.55) DPP4
SCHEMBL646521 0.79 DPP4 (0.61) DPP4
SCHEMBL646683 0.78 DPP4 (0.55) DPP4
SCHEMBL647727 0.77 DPP4 (0.59) DPP4
SCHEMBL645605 0.76 DPP4 (0.57) DPP4
SCHEMBL645964 0.75 DPP4 (0.68) DPP4
SCHEMBL1382238 0.74 DPP4 (1.00) DPP4
SCHEMBL648012 0.74 DPP4 (1.00) DPP4

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