SCHEMBL6168230

SCHEMBL6168230

CC(C)C[C@H](O[C@H](c1ccccc1)c1ccc(-c2cccnc2O)cc1)C(=O)NCC#N

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.49
CTSL P07711 13/20 0.49
CTSS P25774 13/20 0.48
CTSB P07858 9/20 0.46

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
SCHEMBL5522694 0.88 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL5513795 0.87 CTSK (0.59) CTSKCTSLCTSSCTSB
SCHEMBL6168890 0.86 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL5511107 0.85 CTSL (0.64) CTSKCTSLCTSSCTSB
SCHEMBL5523811 0.85 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL5516415 0.84 CTSK (0.61) CTSKCTSLCTSSCTSB
SCHEMBL5518307 0.84 CTSK (0.61) CTSKCTSLCTSSCTSB
SCHEMBL5516794 0.84 CTSK (0.61) CTSKCTSLCTSSCTSB
SCHEMBL5514720 0.84 CTSK (0.61) CTSKCTSLCTSSCTSB
SCHEMBL5513770 0.84 CTSK (0.55) CTSKCTSLCTSSCTSB

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-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP claimed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 WO claimed