SCHEMBL6578588

SCHEMBL6578588

CC(C)C[C@H](NS(C)(=O)=O)C(=O)NC1CCN(C(=O)Cc2cccc(-c3ccccn3)c2)CC1=O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.56
CTSL P07711 14/20 0.56
CTSS P25774 13/20 0.56
CTSB P07858 5/20 0.56
CTSV O60911 2/20 0.44

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
SCHEMBL6580967 0.91 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6581112 0.90 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6577780 0.89 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6582337 0.88 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6578194 0.85 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL20915172 0.83 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL3046987 0.83 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4764918 0.83 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6578193 0.83 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL3046983 0.78 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV

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-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP claimed