SCHEMBL6208955

SCHEMBL6208955

CC(C)C[C@@H](OCc1cccc(-c2ccc(N3CCNCC3)cc2)c1)C(=O)NCC#N

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.68
CTSL P07711 17/20 0.68
CTSB P07858 16/20 0.68
CTSK P43235 16/20 0.68

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
SCHEMBL4700960 1.00 CTSS (0.68) CTSSCTSLCTSBCTSK
SCHEMBL4698804 0.91 CTSL (0.66) CTSSCTSLCTSBCTSK
SCHEMBL6210052 0.90 CTSK (0.57) CTSSCTSLCTSBCTSK
SCHEMBL6209952 0.87 CTSS (0.71) CTSSCTSLCTSBCTSK
SCHEMBL4698932 0.87 CTSS (0.71) CTSSCTSLCTSBCTSK
SCHEMBL4699860 0.85 CTSK (0.72) CTSSCTSLCTSBCTSK
SCHEMBL4699494 0.85 CTSL (0.71) CTSSCTSLCTSBCTSK
SCHEMBL4701344 0.84 CTSL (0.75) CTSSCTSLCTSBCTSK
SCHEMBL6209073 0.84 CTSL (0.56) CTSSCTSLCTSBCTSK
SCHEMBL4700947 0.83 CTSL (0.66) CTSSCTSLCTSBCTSK

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