SCHEMBL6062772

SCHEMBL6062772

CN(C#N)C(=O)C(CC1CCCCC1)OC(=O)NCCO

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.49
CTSB P07858 8/20 0.49
CTSH P09668 5/20 0.49
CTSK P43235 16/20 0.49
CTSS P25774 6/20 0.41

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
SCHEMBL6062781 1.00 CTSL (0.49) CTSLCTSBCTSHCTSKCTSS
SCHEMBL6063204 0.88 CTSL (0.47) CTSLCTSBCTSHCTSKCTSS
SCHEMBL6063198 0.88 CTSL (0.47) CTSLCTSBCTSHCTSKCTSS
SCHEMBL6062404 0.84 CTSL (0.50) CTSLCTSBCTSHCTSKCTSS
SCHEMBL6062399 0.84 CTSL (0.50) CTSLCTSBCTSHCTSKCTSS
SCHEMBL6063058 0.83 CTSL (0.51) CTSLCTSBCTSHCTSKCTSS
SCHEMBL6062157 0.83 CTSL (0.54) CTSLCTSBCTSHCTSKCTSS
SCHEMBL6063052 0.83 CTSL (0.51) CTSLCTSBCTSHCTSKCTSS
SCHEMBL6062159 0.83 CTSL (0.54) CTSLCTSBCTSHCTSKCTSS
SCHEMBL6696109 0.82 CTSK (0.60) CTSLCTSBCTSHCTSKCTSS

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