SCHEMBL7809887

SCHEMBL7809887

C=S(C)(=O)C[C@H](N[C@@H](c1ccc(-c2ccc(F)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.86
CTSB P07858 14/20 0.86
CTSK P43235 12/20 0.86
CTSL P07711 14/20 0.81
CTSV O60911 1/20 0.66
CTSF Q9UBX1 1/20 0.66

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
SCHEMBL7808952 0.93 CTSS (1.00) CTSSCTSBCTSKCTSLCTSV
SCHEMBL13189925 0.89 CTSS (1.00) CTSSCTSBCTSKCTSL
SCHEMBL1271525 0.89 CTSS (1.00) CTSSCTSBCTSKCTSL
SCHEMBL1271598 0.87 CTSS (0.85) CTSSCTSBCTSKCTSL
SCHEMBL2103193 0.85 CTSS (0.81) CTSSCTSBCTSKCTSL
SCHEMBL2103198 0.85 CTSS (0.81) CTSSCTSBCTSKCTSL
SCHEMBL1272483 0.85 CTSS (1.00) CTSSCTSBCTSKCTSL
SCHEMBL2156876 0.85 CTSL (0.79) CTSSCTSBCTSKCTSLCTSV
SCHEMBL2155588 0.85 CTSK (0.82) CTSSCTSBCTSKCTSLCTSV
SCHEMBL7807773 0.85 CTSS (1.00) CTSSCTSBCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010148488-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK FROSST CANADA LTD. (CA) 2010-12-29 WO disclosed