SCHEMBL7447956

SCHEMBL7447956

CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1CCCCN(S(=O)(=O)c2ccccn2)CC1O

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.72
CTSL P07711 16/20 0.72
CTSS P25774 12/20 0.72
CTSB P07858 5/20 0.72
CTSV O60911 2/20 0.52
UTS2R Q9UKP6 1/20 0.47

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
SCHEMBL7421759 0.89 CTSK (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7445941 0.86 CTSK (0.96) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7453375 0.84 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7449693 0.84 CTSK (0.72) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4791582 0.83 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7533565 0.83 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6596974 0.83 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14131739 0.82 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7484769 0.82 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6740606 0.80 CTSK (0.52) 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-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP disclosed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP disclosed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed