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SCHEMBL16622377

SCHEMBL16622377

CC(=O)N1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)cc3)cc21

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.64
▸ CTSK P43235 2/20 0.52

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
SCHEMBL15081621 0.92 CTSC (0.63) CTSCCTSK
SCHEMBL19187206 0.87 CTSC (0.59) CTSCCTSK
SCHEMBL15084033 0.87 CTSC (0.59) CTSCCTSK
SCHEMBL16079112 0.87 CTSC (0.64) CTSCCTSK
SCHEMBL16071356 0.87 CTSC (0.64) CTSCCTSK
SCHEMBL15081695 0.86 CTSC (0.59) CTSCCTSK
SCHEMBL19187942 0.85 CTSC (0.59) CTSCCTSK
SCHEMBL15081714 0.85 CTSC (0.59) CTSCCTSK
SCHEMBL14821954 0.85 CTSC (0.61) CTSCCTSK
SCHEMBL22046344 0.85 CTSC (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758398-B1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-08-02 — — EP disclosed
US-8999975-B2 Substituted N- [1-cyano-2- (phenyl) ethyl] -2-azabicyclo [2.2.1] heptane-3-carboxamide inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed
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