SCHEMBL14201221

SCHEMBL14201221

CC(C)C[C@@H](C(=O)NCC#N)N(C)C(c1cccc(-c2ccc(N3CCNCC3)cc2)c1)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 17/20 0.70
▸ CTSS P25774 16/20 0.70
▸ CTSB P07858 16/20 0.70
▸ CTSK P43235 15/20 0.70

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
SCHEMBL2155952 0.84 CTSL (0.85) CTSLCTSSCTSBCTSK
SCHEMBL4714581 0.82 CTSK (1.00) CTSLCTSSCTSBCTSK
SCHEMBL1587727 0.82 CTSK (1.00) CTSLCTSSCTSBCTSK
SCHEMBL2155946 0.82 CTSL (0.57) CTSLCTSSCTSBCTSK
SCHEMBL2155718 0.78 CTSL (1.00) CTSLCTSSCTSBCTSK
SCHEMBL5061385 0.78 CTSL (1.00) CTSLCTSSCTSBCTSK
SCHEMBL4699992 0.77 CTSL (0.73) CTSLCTSSCTSBCTSK
SCHEMBL4699925 0.77 CTSL (1.00) CTSLCTSSCTSBCTSK
SCHEMBL4715941 0.76 CTSK (0.88) CTSLCTSSCTSBCTSK
SCHEMBL4699494 0.76 CTSL (0.71) CTSLCTSSCTSBCTSK

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
Send feedback