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SCHEMBL3138544

SCHEMBL3138544

CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)C(F)(F)F)C(=O)N[C@H](C#N)Cc1ccc(C#N)cc1F.N#Cc1ccc(C[C@H](N)C#N)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 15/20 0.68
▸ CTSF Q9UBX1 15/20 0.68
▸ CTSL P07711 15/20 0.68
▸ CTSK P43235 6/20 0.66
▸ CTSV O60911 3/20 0.66
▸ CTSS P25774 3/20 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
SCHEMBL2927165 0.91 CTSB (0.79) CTSBCTSFCTSLCTSKCTSV
SCHEMBL12999178 0.85 CTSB (0.77) CTSBCTSFCTSLCTSKCTSV
SCHEMBL3761811 0.84 CTSL (0.87) CTSBCTSFCTSLCTSKCTSV
SCHEMBL2944796 0.84 CTSL (0.87) CTSBCTSFCTSLCTSKCTSV
SCHEMBL12999181 0.83 CTSL (0.78) CTSBCTSFCTSLCTSKCTSV
SCHEMBL12999171 0.83 CTSL (0.80) CTSBCTSFCTSLCTSKCTSV
Carbamic Acid SCHEMBL16411973 0.83 CTSL (0.73) CTSBCTSFCTSLCTSKCTSV
SCHEMBL3804021 0.82 CTSL (0.88) CTSBCTSFCTSLCTSKCTSS
SCHEMBL3769285 0.82 CTSL (0.88) CTSBCTSFCTSLCTSKCTSS
SCHEMBL2928196 0.82 CTSL (0.88) CTSBCTSFCTSLCTSKCTSS

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 claimed
WO-2009067797-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK FROSST CANADA LTD. (CA) 2009-06-04 — — WO claimed