SCHEMBL29809112

SCHEMBL29809112

N#C[C@H](Cc1ccc(-c2ccc3c(c2)COC3=O)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2

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
SCHEMBL16042858 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16064720 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL22643380 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL22643410 0.94 CTSC (1.00) CTSCCTSK
SCHEMBL16064216 0.94 CTSC (1.00) CTSCCTSK
SCHEMBL14821988 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16064656 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL22643278 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL16064703 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL22643414 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
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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