SCHEMBL1382238

SCHEMBL1382238

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 1.00
DPP8 Q6V1X1 1/20 0.57
DPP9 Q86TI2 1/20 0.57

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
SCHEMBL648012 1.00 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL647956 0.93 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL646678 0.93 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL645954 0.88 DPP4 (0.78) DPP4DPP8DPP9
SCHEMBL648082 0.88 DPP4 (0.87) DPP4DPP8DPP9
SCHEMBL1377256 0.84 DPP4 (0.83) DPP4DPP8DPP9
SCHEMBL646373 0.84 DPP4 (0.83) DPP4DPP8DPP9
SCHEMBL645964 0.81 DPP4 (0.68) DPP4
SCHEMBL12398798 0.81 DPP4 (0.68) DPP4DPP8
SCHEMBL4705704 0.79 DPP4 (0.89) DPP4DPP8DPP9

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