SCHEMBL4043683

SCHEMBL4043683

CC(C)CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC2C1C(=O)CN2OC(=O)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.54
CTSS P25774 4/20 0.42
CTSL P07711 3/20 0.40
CTSV O60911 2/20 0.40
CCR1 P32246 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4040326 0.95 CTSK (0.56) CTSKCTSSCTSLCTSVCCR1
SCHEMBL4047026 0.93 CTSK (0.60) CTSKCTSSCTSL
SCHEMBL4050121 0.92 CTSK (0.54) CTSKCTSSCTSLCTSVCCR1
SCHEMBL4050247 0.89 CTSK (0.61) CTSKCTSSCTSLCTSVCCR1
SCHEMBL4047452 0.89 CTSK (0.54) CTSKCTSSCTSLCTSV
SCHEMBL4046427 0.89 CTSK (0.58) CTSKCTSSCTSLCTSVCCR1
SCHEMBL4051972 0.88 CTSK (0.54) CTSKCTSSCTSLCTSVCCR1
SCHEMBL4046824 0.88 CTSK (0.70) CTSKCTSSCTSLCTSVCCR1
SCHEMBL4044579 0.87 CTSK (0.71) CTSKCTSSCTSLCTSVCCR1
SCHEMBL4045496 0.86 CTSK (0.60) CTSKCTSSCTSLCTSVCCR1

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