SCHEMBL4040090

SCHEMBL4040090

CCCC(NC(=O)Oc1oc2ccccc2c1C)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.36
FAP Q12884 4/20 0.36
CTSK P43235 9/20 0.31
CTSL P07711 7/20 0.31
CTSS P25774 7/20 0.31
CTSV O60911 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL4049252 0.93 CTSK (0.39) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4041817 0.92 CTSL (0.33) PREPFAPCTSKCTSLCTSS
SCHEMBL4043247 0.90 CTSK (0.39) PREPFAPCTSKCTSLCTSS
SCHEMBL4046790 0.89 USP30 (0.36) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6239332 0.89 PREP (0.40) PREPFAPCTSKCTSLCTSS
SCHEMBL4050441 0.89 CTSK (0.39) PREPFAPCTSKCTSLCTSS
SCHEMBL4046502 0.89 PREP (0.34) PREPFAPCTSKCTSS
SCHEMBL4040800 0.88 PREP (0.36) PREPFAPCTSKCTSLCTSS
SCHEMBL4049192 0.86 CTSK (0.37) PREPFAPCTSKCTSLCTSS
SCHEMBL4042714 0.85 SMN1; SMN2 (0.36) PREPFAPCTSKCTSS

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