SCHEMBL4765600

SCHEMBL4765600

CC(C)CC(NC(=O)c1ccc2ccccc2n1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.54
CTSL P07711 13/20 0.54
CTSS P25774 10/20 0.54
CTSB P07858 5/20 0.54
CTSV O60911 2/20 0.38
UTS2R Q9UKP6 1/20 0.38
CNR2 P34972 2/20 0.38

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
SCHEMBL4763062 0.91 GRN (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4763182 0.90 CTSK (0.45) CTSKCTSLCTSSCTSB
SCHEMBL4770472 0.89 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4765041 0.88 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4768321 0.87 CCR1 (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4762204 0.87 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4766629 0.86 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4823843 0.86 TAS1R3 (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4770696 0.86 CTSL (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4830428 0.84 CTSK (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed