SCHEMBL7533565

SCHEMBL7533565

CC(C)CC(NC(=O)c1nccc2ccccc12)C(=O)NC1CCCN(S(=O)(=O)c2ccccn2)C[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.61
CTSL P07711 18/20 0.61
CTSS P25774 14/20 0.61
CTSB P07858 5/20 0.55
CTSV O60911 2/20 0.54

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
SCHEMBL4793135 0.85 CTSK (0.83) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7484769 0.85 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14131739 0.84 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7421759 0.84 CTSK (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7447956 0.83 CTSK (0.72) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7453375 0.82 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7449693 0.82 CTSK (0.72) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6740612 0.82 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6740606 0.82 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686499 0.80 CTSK (0.49) 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-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed