SCHEMBL19155179

SCHEMBL19155179

C[C@@H]1[C@H](C)[C@@H]2C[C@@H]1[C@@H](C(=O)N[C@H](C#N)Cc1ccc(-c3ccc(C#N)c(F)c3)cc1F)N2C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.54
▸ CTSK P43235 10/20 0.54

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
SCHEMBL16064299 0.92 CTSC (0.61) CTSCCTSK
SCHEMBL19155342 0.90 CTSC (0.56) CTSCCTSK
SCHEMBL19155036 0.89 CTSC (0.57) CTSCCTSK
SCHEMBL19155097 0.88 CTSC (0.58) CTSCCTSK
SCHEMBL19368416 0.88 CTSC (0.58) CTSCCTSK
SCHEMBL19155039 0.88 CTSC (0.58) CTSCCTSK
SCHEMBL19368351 0.88 CTSC (0.40) CTSCCTSK
SCHEMBL19155308 0.87 CTSC (0.60) CTSCCTSK
SCHEMBL19155091 0.86 CTSC (0.61) CTSCCTSK
SCHEMBL22642959 0.86 CTSC (0.61) 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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