SCHEMBL7429565

SCHEMBL7429565

C[CH]CCC(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.55
CTSL P07711 14/20 0.55
CTSS P25774 10/20 0.55
CTSB P07858 6/20 0.54
CTSV O60911 1/20 0.53

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
SCHEMBL7426104 0.89 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686330 0.88 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105583 0.86 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6403854 0.86 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6403850 0.86 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7426096 0.84 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7428346 0.83 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5093270 0.83 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7422161 0.83 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4924362 0.82 CTSK (0.56) 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 claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed