SCHEMBL7446748

SCHEMBL7446748

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N1CCC=CC(N)C(=O)C1S(=O)(=O)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.55
CTSL P07711 13/20 0.55
CTSS P25774 10/20 0.55
CTSB P07858 4/20 0.55
CTSV O60911 2/20 0.55
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46

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
SCHEMBL7454549 0.88 CTSK (0.58) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7446738 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7446355 0.86 TAS1R3 (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7453958 0.86 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7441241 0.86 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7446348 0.84 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7449707 0.80 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7456169 0.77 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7449866 0.75 CTSK (0.78) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7454547 0.75 CTSK (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002533452-A 2002-10-08 JP claimed
EP-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP claimed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP claimed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed
EP-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP disclosed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP disclosed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed