SCHEMBL19155285

SCHEMBL19155285

C[C@@H]1[C@H](C)[C@@H]2C[C@H]1[C@@H](C(=O)N[C@H](C#N)Cc1ccc(-c3ccc4oc(=O)n(C)c4c3)cc1F)N2C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.61
▸ CTSK P43235 9/20 0.53

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
SCHEMBL22642777 0.94 CTSC (0.60) CTSCCTSK
SCHEMBL16064241 0.93 CTSC (0.68) CTSCCTSK
SCHEMBL21076185 0.93 CTSC (0.68) CTSCCTSK
SCHEMBL22642778 0.88 CTSC (0.48) CTSCCTSK
SCHEMBL31536744 0.86 CTSC (0.60) CTSCCTSK
SCHEMBL31536758 0.86 CTSC (0.60) CTSCCTSK
SCHEMBL31536747 0.86 CTSC (0.60) CTSCCTSK
SCHEMBL19155179 0.85 CTSC (0.54) CTSCCTSK
SCHEMBL19155342 0.84 CTSC (0.56) CTSCCTSK
SCHEMBL30738920 0.84 CTSC (0.60) CTSCCTSK

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-9713606-B2 Methods for treating pulmonary emphysema using substituted 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-07-25 — — US disclosed
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