SCHEMBL4041595

SCHEMBL4041595

Cc1c(OC(=O)NC2(C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)c3ccccn3)CCCCC2)oc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.42
CTSL P07711 18/20 0.42
CTSS P25774 17/20 0.42
CTSV O60911 2/20 0.35
CTSB P07858 2/20 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
SCHEMBL4044049 0.90 CTSL (0.33) CTSKCTSLCTSS
SCHEMBL4042694 0.89 CTSL (0.34) CTSKCTSLCTSS
SCHEMBL4045681 0.88 LMNA (0.36) CTSKCTSLCTSS
SCHEMBL4044596 0.86 CTSL (0.38) CTSKCTSLCTSS
SCHEMBL4043809 0.86 L3MBTL1 (0.32)
SCHEMBL4042598 0.85 CTSK (0.31) CTSK
SCHEMBL4049041 0.84 CHRNB2 (0.36)
SCHEMBL4050955 0.81 CTSK (0.37) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4048016 0.81 CTSK (0.46) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4043247 0.80 CTSK (0.39) CTSKCTSLCTSSCTSVCTSB

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