SCHEMBL4040886

SCHEMBL4040886

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.54
CTSS P25774 2/20 0.43
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.37
PPID Q08752 1/20 0.36
PPIG Q13427 1/20 0.36
CACNA1B Q00975 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 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
SCHEMBL4046497 0.91 CTSK (0.66) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4042169 0.90 CTSK (0.67) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4043955 0.90 CTSK (0.58) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4045558 0.89 CTSK (0.56) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4045586 0.88 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL4044918 0.88 CTSK (0.62) CTSKCTSSCTSL
SCHEMBL4046312 0.87 CTSK (0.52) CTSKCTSSCTSLCTSB
SCHEMBL4047157 0.87 CTSK (0.51) CTSKCTSSCTSLCTSB
SCHEMBL4039279 0.87 CTSK (0.62) CTSKCTSSPOLBCCR1PPID
SCHEMBL4043121 0.87 CTSK (0.56) CTSKCTSSPOLBCCR1PPID

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