SCHEMBL6260828

SCHEMBL6260828

C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1(C)CCC(Oc2cccc(C#N)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.57
DPP9 Q86TI2 1/20 0.49
EPHX2 P34913 1/20 0.40

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
SCHEMBL647026 1.00 DPP4 (0.57) DPP4DPP9EPHX2
SCHEMBL645641 0.90 DPP4 (0.52) DPP4DPP9
SCHEMBL648514 0.90 DPP4 (0.52) DPP4DPP9
SCHEMBL6506983 0.90 DPP4 (0.52) DPP4DPP9
SCHEMBL647250 0.84 DPP4 (0.55) DPP4DPP9
SCHEMBL6508986 0.84 DPP4 (0.68) DPP4DPP9EPHX2
SCHEMBL646802 0.84 DPP4 (0.54) DPP4DPP9
SCHEMBL648354 0.84 DPP4 (0.68) DPP4DPP9EPHX2
SCHEMBL1379906 0.82 DPP4 (0.69) DPP4DPP9
SCHEMBL647061 0.82 DPP4 (0.69) DPP4DPP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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