SCHEMBL4041817

SCHEMBL4041817

Cc1c(OC(=O)NC(CC2CC2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2ccccn2)oc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.33
CTSS P25774 13/20 0.33
CTSV O60911 3/20 0.33
CTSK P43235 14/20 0.32
USP30 Q70CQ3 1/20 0.31
CTSB P07858 1/20 0.31
PREP P48147 1/20 0.30
FAP Q12884 1/20 0.30

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) CTSLCTSSCTSVCTSKCTSB
SCHEMBL4040090 0.92 PREP (0.36) CTSLCTSSCTSVCTSKCTSB
SCHEMBL4046671 0.90 CTSK (0.41) CTSLCTSSCTSVCTSKCTSB
SCHEMBL4046790 0.89 USP30 (0.36) CTSLCTSSCTSVCTSKUSP30
SCHEMBL4042558 0.89 CTSK (0.39) CTSLCTSSCTSVCTSKPREP
SCHEMBL4042994 0.89 CTSS (0.35) CTSLCTSSCTSVCTSKPREP
SCHEMBL4047097 0.88 CTSL (0.33) CTSLCTSSCTSVCTSKCTSB
SCHEMBL4040779 0.83 CTSV (0.34) CTSLCTSSCTSVCTSK
SCHEMBL4049249 0.83 CHRNB2 (0.36) CTSLCTSSCTSV
SCHEMBL4048016 0.83 CTSK (0.46) CTSLCTSSCTSVCTSKCTSB

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