SCHEMBL6064459

SCHEMBL6064459

N#CC(C#N)NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.57
CTSB P07858 5/20 0.51
CTSL P07711 4/20 0.51
CTSK P43235 2/20 0.45
CTSH P09668 1/20 0.45
CTSC P53634 1/20 0.45

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
SCHEMBL3023913 0.85 CTSS (0.57) CTSSCTSBCTSLCTSKCTSH
SCHEMBL5438934 0.85 CTSS (0.57) CTSSCTSBCTSLCTSKCTSH
SCHEMBL3023908 0.85 CTSS (0.57) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7656003 0.85 CTSS (0.55) CTSSCTSBCTSLCTSK
SCHEMBL7655999 0.85 CTSS (0.55) CTSSCTSBCTSLCTSK
SCHEMBL6848124 0.81 CTSS (0.55) CTSSCTSBCTSLCTSKCTSH
SCHEMBL6848353 0.80 CTSS (0.54) CTSSCTSBCTSLCTSKCTSH
SCHEMBL14491117 0.79 CTSS (0.53) CTSSCTSBCTSLCTSKCTSH
SCHEMBL6848129 0.79 CTSS (0.53) CTSSCTSBCTSLCTSKCTSH
SCHEMBL5443847 0.79 CTSS (0.53) CTSSCTSBCTSLCTSKCTSH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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