SCHEMBL7486011

SCHEMBL7486011

Cc1c(C(=O)NC(CC(C)C)C(=O)N[C@H]2CCCN(S(=O)(=O)c3ccccn3)CC2=O)oc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.74
CTSL P07711 18/20 0.74
CTSS P25774 14/20 0.74
CTSB P07858 6/20 0.74
CTSV O60911 2/20 0.74

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
SCHEMBL6632963 0.91 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6632961 0.91 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6632960 0.91 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4685643 0.89 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6842254 0.88 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6842272 0.88 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6837057 0.88 CTSK (0.74) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784217 0.88 CTSK (0.74) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099174 0.87 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099173 0.87 CTSK (0.57) 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