SCHEMBL29809195

SCHEMBL29809195

CC(=O)n1nc(-c2ccc(CC(C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cc1C

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 14/20 1.00

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
SCHEMBL22643119 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL19368125 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16042410 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL22643096 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL16064706 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL16064772 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL16064683 0.83 CTSC (0.78) CTSCCTSK
SCHEMBL16078747 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16064301 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL22643182 0.82 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
CN-108707140-B Protease C inhibitors 勃林格殷格翰国际有限公司 2022-07-22 — — CN disclosed
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