SCHEMBL6594359

SCHEMBL6594359

CC(C[CH]C(=O)N[C@H]1CCCN(C(=O)C2=NC=CCC2=O)CC1=O)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.33
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33

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
SCHEMBL6587818 0.82 CTSK (0.36) CTSKCTSLCTSS
SCHEMBL5096433 0.81 CTSK (0.42) CTSKCTSLCTSS
SCHEMBL5092894 0.77 CTSK (0.35) CTSKCTSLCTSS
SCHEMBL5092532 0.76 CTSK (0.38) CTSKCTSLCTSS
SCHEMBL5105613 0.75 ALDH1A1 (0.38)
SCHEMBL5099273 0.74 CTSK (0.40) CTSKCTSLCTSS
SCHEMBL5099688 0.73 ACHE (0.34) CTSK
SCHEMBL5092868 0.73 CTSK (0.35) CTSKCTSLCTSS
SCHEMBL4902762 0.73 RAB9A (0.41) CTSKCTSLCTSS
SCHEMBL5098964 0.72 BIRC2 (0.37) CTSK

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