SCHEMBL5225643

SCHEMBL5225643

CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCCC2C#N)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.49
BTK Q06187 1/20 0.49
DPP4 P27487 17/20 0.48
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46

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
SCHEMBL3910609 1.00 CTSK (0.49) CTSKBTKDPP4DPP8DPP9
SCHEMBL29933492 0.77 CTSK (0.53) CTSKDPP4DPP8DPP9
SCHEMBL3597277 0.76 DPP4 (0.46) DPP4DPP8DPP9
SCHEMBL2896482 0.75 DPP4 (0.56) CTSKDPP4DPP8DPP9
SCHEMBL240005 0.75 DPP4 (0.56) CTSKDPP4DPP8DPP9
SCHEMBL1357066 0.75 DPP4 (0.56) CTSKDPP4DPP8DPP9
SCHEMBL10106774 0.74 DPP4 (0.66) DPP4DPP8DPP9
SCHEMBL2743710 0.74 DPP4 (0.66) DPP4DPP8DPP9
SCHEMBL8268495 0.74 DPP4 (0.78) DPP4DPP8DPP9
SCHEMBL25455746 0.74 BTK (0.54) CTSKBTK

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-1799639-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION Glenmark Pharmaceuticals S.A. (CH) 2007-06-27 EP disclosed
WO-2006040625-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2006-04-20 WO disclosed