SCHEMBL22046344

SCHEMBL22046344

CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@H](C#N)Cc1ccc(-c2ccc3c(c2)N(CCO)C(=O)C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.58
▸ CTSK P43235 4/20 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
SCHEMBL16071144 0.93 CTSC (0.68) CTSCCTSK
SCHEMBL16079112 0.92 CTSC (0.64) CTSCCTSK
SCHEMBL16071356 0.92 CTSC (0.64) CTSCCTSK
SCHEMBL15081621 0.87 CTSC (0.63) CTSCCTSK
SCHEMBL16071148 0.87 CTSC (0.64) CTSCCTSK
SCHEMBL16622377 0.85 CTSC (0.64) CTSCCTSK
SCHEMBL16070953 0.83 CTSC (0.62) CTSCCTSK
SCHEMBL16071097 0.82 CTSC (0.62) CTSCCTSK
SCHEMBL16070999 0.81 CTSC (0.56) CTSCCTSK
SCHEMBL16064159 0.80 CTSC (0.68) 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
EP-2970252-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-06-03 — — EP disclosed
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