SCHEMBL2923823

SCHEMBL2923823

CC(C)(F)CCN(C(=O)N[C@H](C#N)Cc1ccccc1)[C@@H](c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)C(F)(F)F.CNC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 16/20 0.56
▸ CTSB P07858 13/20 0.56
▸ CTSF Q9UBX1 13/20 0.56
▸ CTSK P43235 4/20 0.39
▸ CTSS P25774 3/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSC P53634 1/20 0.38

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
SCHEMBL3765256 0.80 CTSL (0.85) CTSLCTSBCTSFCTSKCTSS
SCHEMBL2928196 0.75 CTSL (0.88) CTSLCTSBCTSFCTSKCTSS
SCHEMBL3804021 0.75 CTSL (0.88) CTSLCTSBCTSFCTSKCTSS
SCHEMBL3769285 0.75 CTSL (0.88) CTSLCTSBCTSFCTSKCTSS
SCHEMBL2954991 0.72 CTSL (1.00) CTSLCTSBCTSFCTSKCTSS
SCHEMBL2927752 0.71 CTSL (0.62) CTSLCTSBCTSFCTSKCTSS
SCHEMBL3771079 0.69 CTSL (0.78) CTSLCTSBCTSFCTSKCTSS
SCHEMBL2920244 0.69 CTSL (0.78) CTSLCTSBCTSFCTSKCTSS
SCHEMBL2927535 0.69 CTSL (0.49) CTSLCTSBCTSFCTSKCTSS
SCHEMBL2927702 0.69 CTSL (0.83) CTSLCTSBCTSFCTSKCTSS

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-2225196-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES Merck Frosst Canada Ltd. (CA) 2010-09-08 — — EP disclosed
WO-2009067797-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK FROSST CANADA LTD. (CA) 2009-06-04 — — WO disclosed
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