SCHEMBL6073055

SCHEMBL6073055

Cn1nccc1C(=O)N[C@@H](CC1CCCCC1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 17/20 0.42
CTSS P25774 17/20 0.42
CTSK P43235 16/20 0.42
USP30 Q70CQ3 1/20 0.37
CTSB P07858 1/20 0.33
CTSV O60911 2/20 0.32

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
SCHEMBL7006426 0.86 CTSK (0.53) CTSLCTSSCTSKUSP30
SCHEMBL7011830 0.86 CTSL (0.40) CTSLCTSSCTSKUSP30CTSB
SCHEMBL6072667 0.85 CTSK (0.41) CTSLCTSSCTSKUSP30CTSB
SCHEMBL7006137 0.85 CTSL (0.39) CTSLCTSSCTSKUSP30CTSB
SCHEMBL6073049 0.85 CTSK (0.39) CTSLCTSSCTSKUSP30CTSB
SCHEMBL6072630 0.85 CTSK (0.39) CTSLCTSSCTSKUSP30CTSB
SCHEMBL6072616 0.85 CTSK (0.40) CTSLCTSSCTSKUSP30CTSB
SCHEMBL7012868 0.84 CTSS (0.40) CTSLCTSSCTSKUSP30
SCHEMBL7011520 0.84 CTSS (0.39) CTSLCTSSCTSKUSP30CTSB
SCHEMBL7007037 0.84 CTSK (0.38) CTSLCTSSCTSKUSP30CTSB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006505526-A 2006-02-16 JP claimed
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP claimed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO claimed
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP disclosed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed