SCHEMBL15099779

SCHEMBL15099779

CC(C)(C)OC(=O)C1(C(N)C#N)CC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
DPP4 P27487 5/20 0.34
CTSL P07711 1/20 0.33

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
SCHEMBL7862903 0.75 ALDH1A1 (0.35) DPP4
SCHEMBL13337392 0.73 CTSL (0.41) CTSKCTSL
SCHEMBL19332413 0.69 CTSL (0.36) CTSKCTSL
SCHEMBL11974296 0.68 CTSK (0.32) CTSKCTSL
SCHEMBL82141 0.68 CTSK (0.33) CTSKCTSL
SCHEMBL740875 0.67 ALOX15 (0.33) CTSKCTSL
SCHEMBL1393426 0.67 CTSK (0.37) CTSKDPP4CTSL
SCHEMBL782800 0.67 CTSK (0.38) CTSKCTSL
SCHEMBL2312894 0.66 MAPK1 (0.34)
SCHEMBL27527940 0.66 GRIN2B (0.34) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP disclosed