SCHEMBL29809304

SCHEMBL29809304

CN1CCC(Oc2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC1

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 10/20 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
SCHEMBL16042439 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL22643035 0.90 CTSC (0.81) CTSCCTSK
SCHEMBL16064677 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL16042595 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL29809065 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL22643481 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16064173 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL22643319 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16064709 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL22643188 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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