SCHEMBL6648779

SCHEMBL6648779

O=C(NC1(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3ccccn3)CC2=O)CCCCC1)c1cc2ccccc2o1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.66
CTSL P07711 18/20 0.66
CTSS P25774 14/20 0.66
CTSB P07858 6/20 0.66
CTSV O60911 2/20 0.66

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
SCHEMBL6842089 0.87 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7485959 0.83 CTSK (0.72) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5093126 0.81 CTSK (0.86) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14040700 0.80 CTSK (0.82) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14131372 0.80 CTSK (0.82) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6835492 0.80 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6836234 0.80 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6838160 0.80 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL12270440 0.79 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14131370 0.79 CTSK (1.00) 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-1392657-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-03-10 EP disclosed
EP-1392657-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2004-03-03 EP disclosed
WO-2003053331-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO disclosed