SCHEMBL16622368

SCHEMBL16622368

CS(=O)(=O)c1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)cc2)ccc1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 1.00
▸ CTSK P43235 6/20 0.90

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
SCHEMBL16071107 0.95 CTSC (1.00) CTSCCTSK
SCHEMBL16078844 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16078616 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16064528 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16064462 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL15083962 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL15064889 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL19186786 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL14822286 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL19187241 0.86 CTSC (1.00) 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-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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