SCHEMBL6072824

SCHEMBL6072824

O=C(NC(CC1CCCC1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O)c1ccco1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.77
CTSL P07711 17/20 0.77
CTSS P25774 16/20 0.77
CTSB P07858 3/20 0.65
CTSV O60911 1/20 0.62

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
SCHEMBL8337747 1.00 CTSK (0.77) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7491445 0.90 CTSK (0.77) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5982895 0.87 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5982907 0.87 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14040700 0.86 CTSK (0.82) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14131372 0.86 CTSK (0.82) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6841469 0.86 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
SCHEMBL8339529 0.86 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6221912 0.85 CTSK (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL8335497 0.85 CTSK (0.62) 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
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