SCHEMBL4046497

SCHEMBL4046497

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

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.66
CTSS P25774 2/20 0.51
CCR1 P32246 1/20 0.37
CTSL P07711 2/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL4040886 0.91 CTSK (0.54) CTSKCTSSCCR1CTSLPOLB
SCHEMBL4042238 0.90 CTSK (0.70) CTSKCTSSCCR1CTSL
SCHEMBL4042169 0.89 CTSK (0.67) CTSKCTSSCCR1CTSLPOLB
SCHEMBL4045558 0.88 CTSK (0.56) CTSKCTSSCCR1CTSLPOLB
SCHEMBL4044918 0.87 CTSK (0.62) CTSKCTSSCTSL
SCHEMBL4045586 0.87 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL4042931 0.87 CTSK (0.77) CTSKCTSSCCR1CTSL
SCHEMBL4050211 0.87 CTSK (0.69) CTSKCTSSCCR1CTSLPOLB
SCHEMBL4046312 0.87 CTSK (0.52) CTSKCTSSCTSL
SCHEMBL4047157 0.87 CTSK (0.51) 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