SCHEMBL29809223

SCHEMBL29809223

CN1Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc2C1

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 12/20 0.79

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
SCHEMBL16043035 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16071113 0.95 CTSC (1.00) CTSCCTSK
SCHEMBL16064172 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL16064658 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL22643414 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL21076233 0.88 CTSC (0.78) CTSCCTSK
SCHEMBL22643125 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL16064217 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL22643134 0.86 CTSC (0.76) CTSCCTSK
SCHEMBL16064692 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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