SCHEMBL6208765

SCHEMBL6208765

CC(C)C[C@@H](C(N)=O)N(CC#N)c1sncc1Br

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL6208514 0.79 CTSL (0.37) CTSLCTSBCTSS
SCHEMBL6208762 0.77 CTSL (0.34) CTSLCTSBCTSS
SCHEMBL4704401 0.77 CTSL (0.34) CTSLCTSBCTSS
SCHEMBL4698971 0.73 CTSL (0.49) CTSLCTSBCTSS
SCHEMBL4701632 0.72 FNTA (0.34)
SCHEMBL4699525 0.71 CTSL (0.38) CTSLCTSBCTSS
SCHEMBL4701784 0.70 CTSS (0.39) CTSS
SCHEMBL4701440 0.69 CTSL (0.40) CTSLCTSBCTSS
SCHEMBL4703027 0.69 CTSK (0.31) CTSLCTSBCTSS
SCHEMBL4701995 0.69 CTSK (0.37) CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP disclosed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP disclosed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 WO disclosed