SCHEMBL4045586

SCHEMBL4045586

CC(C)CNC(=O)ON1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.54
CTSS P25774 3/20 0.39
CTSL P07711 3/20 0.39

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
SCHEMBL4044918 0.92 CTSK (0.62) CTSKCTSSCTSL
SCHEMBL4047157 0.92 CTSK (0.51) CTSKCTSSCTSL
SCHEMBL4051972 0.90 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL4040886 0.88 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL4049225 0.88 CTSK (0.58) CTSKCTSSCTSL
SCHEMBL4047452 0.88 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL4046497 0.87 CTSK (0.66) CTSKCTSSCTSL
SCHEMBL4042169 0.87 CTSK (0.67) CTSKCTSSCTSL
SCHEMBL4043683 0.86 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL4045558 0.85 CTSK (0.56) CTSKCTSSCTSL

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed