SCHEMBL4366565

SCHEMBL4366565

CC(C)C[C@H](NC(=O)c1ccc(N2CCCC2)cc1)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.80
CTSS P25774 5/20 0.59
CTSV O60911 3/20 0.47
CTSL P07711 3/20 0.47
CCR1 P32246 2/20 0.46
SMYD3 Q9H7B4 1/20 0.42
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40

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
SCHEMBL5941951 1.00 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4366569 1.00 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4040302 1.00 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL5941884 0.94 CTSK (0.76) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4361906 0.94 CTSK (0.76) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4043101 0.94 CTSK (0.76) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4361912 0.94 CTSK (0.76) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4041612 0.94 CTSK (0.76) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4368912 0.93 CTSK (0.75) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4044020 0.93 CTSK (0.75) CTSKCTSSCTSVCTSLCCR1

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 disclosed