SCHEMBL7428335

SCHEMBL7428335

O=C([CH]COCc1ccccc1)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.54
CTSL P07711 15/20 0.54
CTSS P25774 13/20 0.54
CTSB P07858 6/20 0.54
CTSV O60911 1/20 0.49

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
SCHEMBL7430841 0.89 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7428346 0.85 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092516 0.85 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5098859 0.83 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7426096 0.83 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5098855 0.83 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686326 0.82 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5093270 0.82 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6409823 0.81 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096352 0.81 CTSK (0.51) 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 claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed