SCHEMBL4672068

SCHEMBL4672068

CC(C)C[C@H](N[C@@H](c1ccc(Br)cc1)c1cc(Br)cs1)C(=O)NCC#N.CCC[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.59
CTSK P43235 10/20 0.59
CTSB P07858 8/20 0.59
CTSS P25774 8/20 0.59

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
SCHEMBL2155815 0.85 CTSL (0.54) CTSLCTSKCTSBCTSS
SCHEMBL2155711 0.81 CTSL (0.78) CTSLCTSKCTSBCTSS
SCHEMBL28457933 0.81 CTSL (0.83) CTSLCTSKCTSBCTSS
SCHEMBL28457934 0.81 CTSL (0.83) CTSLCTSKCTSBCTSS
SCHEMBL2156792 0.81 CTSL (0.83) CTSLCTSKCTSBCTSS
SCHEMBL28457932 0.81 CTSL (0.83) CTSLCTSKCTSBCTSS
SCHEMBL2156361 0.81 CTSK (0.67) CTSLCTSKCTSBCTSS
SCHEMBL4675215 0.80 CTSK (0.48) CTSLCTSKCTSBCTSS
SCHEMBL2157033 0.77 CTSL (1.00) CTSLCTSKCTSBCTSS
SCHEMBL8354274 0.77 CTSL (0.76) CTSLCTSKCTSBCTSS

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
EP-1482924-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-05-21 EP disclosed