SCHEMBL6604892

SCHEMBL6604892

CC(=O)CCCC(=O)N[C@@H](CC(C)C)C(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1=O

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.71
CTSL P07711 17/20 0.71
CTSS P25774 13/20 0.71
CTSB P07858 6/20 0.69
CTSV O60911 1/20 0.69

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
SCHEMBL7427335 0.83 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7478030 0.83 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7426487 0.83 CTSK (0.79) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7491445 0.83 CTSK (0.77) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4171722 0.82 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL21067433 0.82 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL12270440 0.82 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7488463 0.82 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL15281233 0.82 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
SCHEMBL8246857 0.82 CTSK (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed