SCHEMBL2157343

SCHEMBL2157343

CC(C)C[C@H](N)C(=O)N([C@@H](c1ccc(-c2ccc(C(C)O)cc2)cn1)C(F)(F)F)C1(C#N)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.38
CTSL P07711 13/20 0.37
CTSB P07858 9/20 0.34
CTSS P25774 9/20 0.34

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
SCHEMBL2156782 0.90 CTSL (0.33) CTSKCTSLCTSBCTSS
SCHEMBL2156059 0.85 CTSL (0.33) CTSKCTSLCTSBCTSS
SCHEMBL2157348 0.83 CTSK (0.38) CTSKCTSLCTSBCTSS
SCHEMBL2156169 0.82 CTSL (0.49) CTSKCTSLCTSBCTSS
SCHEMBL2155056 0.81 CTSL (0.40) CTSKCTSLCTSBCTSS
SCHEMBL2155258 0.80 CTSL (0.35) CTSKCTSLCTSBCTSS
SCHEMBL2156690 0.79 CTSK (0.48) CTSKCTSLCTSBCTSS
SCHEMBL2157370 0.78 CTSK (0.36) CTSKCTSLCTSBCTSS
SCHEMBL2155032 0.78 CTSL (0.37) CTSKCTSLCTSBCTSS
SCHEMBL2156797 0.78 CTSK (0.41) CTSKCTSLCTSBCTSS

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
US-7973037-B2 Cathepsin cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2011-07-05 US disclosed