SCHEMBL1376992

SCHEMBL1376992

C#CC1CCC(C#N)N1C(=O)CNC1(Oc2ccc(C#N)cc2OC)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.51
DPP9 Q86TI2 1/20 0.44

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
SCHEMBL646820 1.00 DPP4 (0.51) DPP4DPP9
SCHEMBL645647 0.89 DPP4 (0.49) DPP4DPP9
SCHEMBL1378140 0.89 DPP4 (0.49) DPP4DPP9
SCHEMBL645803 0.85 DPP4 (0.54) DPP4DPP9
SCHEMBL1376692 0.85 DPP4 (0.54) DPP4DPP9
SCHEMBL6201221 0.83 DPP4 (0.49) DPP4DPP9
SCHEMBL648355 0.83 DPP4 (0.49) DPP4DPP9
SCHEMBL6508992 0.83 DPP4 (0.49) DPP4DPP9
SCHEMBL3602062 0.78 DPP4 (0.44) DPP4
SCHEMBL648644 0.78 DPP4 (0.50) 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 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