SCHEMBL4046671

SCHEMBL4046671

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.41
CTSL P07711 18/20 0.41
CTSS P25774 14/20 0.41
CTSB P07858 3/20 0.39
CTSV O60911 2/20 0.39

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
SCHEMBL4048016 0.93 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043247 0.92 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041817 0.90 CTSL (0.33) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4047097 0.90 CTSL (0.33) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4047038 0.89 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040779 0.86 CTSV (0.34) CTSKCTSLCTSSCTSV
SCHEMBL4042558 0.86 CTSK (0.39) CTSKCTSLCTSSCTSV
SCHEMBL4040797 0.85 CTSV (0.33) CTSKCTSLCTSSCTSV
SCHEMBL4042994 0.85 CTSS (0.35) CTSKCTSLCTSSCTSV
SCHEMBL4049249 0.85 CHRNB2 (0.36) CTSLCTSSCTSV

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