SCHEMBL6200971

SCHEMBL6200971

C#CC1CCC(C#N)N1C(=O)CNC1CCC(Oc2cc(C#N)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.61
DPP9 Q86TI2 2/20 0.61
EPHX2 P34913 2/20 0.42
DPP8 Q6V1X1 1/20 0.42

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
SCHEMBL647680 1.00 DPP4 (0.61) DPP4DPP9EPHX2DPP8
SCHEMBL645893 1.00 DPP4 (0.61) DPP4DPP9EPHX2DPP8
SCHEMBL4702439 1.00 DPP4 (0.61) DPP4DPP9EPHX2DPP8
SCHEMBL4704014 1.00 DPP4 (0.61) DPP4DPP9EPHX2DPP8
SCHEMBL4704016 1.00 DPP4 (0.61) DPP4DPP9EPHX2DPP8
SCHEMBL648116 0.87 DPP4 (0.62) DPP4DPP9EPHX2DPP8
SCHEMBL647636 0.87 DPP4 (0.62) DPP4DPP9EPHX2DPP8
SCHEMBL650946 0.87 DPP4 (0.58) DPP4DPP9EPHX2DPP8
SCHEMBL646035 0.87 DPP4 (0.58) DPP4DPP9EPHX2DPP8
SCHEMBL6508986 0.84 DPP4 (0.68) DPP4DPP9EPHX2DPP8

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