SCHEMBL6061600

SCHEMBL6061600

CCN(CC)C(=O)OC(CC1CCCCC1)C(=O)N(C)C#N

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.50
CTSL P07711 9/20 0.47
CTSB P07858 8/20 0.47
CTSH P09668 5/20 0.46
CTSS P25774 4/20 0.39
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL6061604 1.00 CTSK (0.50) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6683526 0.80 CTSK (0.53) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6683529 0.80 CTSK (0.53) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6696441 0.79 CTSK (0.46) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6063058 0.79 CTSL (0.51) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6062157 0.79 CTSL (0.54) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6062159 0.79 CTSL (0.54) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6653241 0.79 CTSK (0.46) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6063052 0.79 CTSL (0.51) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6694050 0.79 CTSK (0.49) CTSKCTSLCTSBCTSHCTSS

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-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed