SCHEMBL29809181

SCHEMBL29809181

CN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc21

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 13/20 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
SCHEMBL16064692 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16043349 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL22642958 0.93 CTSC (1.00) CTSCCTSK
SCHEMBL16064497 0.93 CTSC (1.00) CTSCCTSK
SCHEMBL17620411 0.93 CTSC (1.00) CTSCCTSK
SCHEMBL22643004 0.93 CTSC (1.00) CTSCCTSK
SCHEMBL16064219 0.93 CTSC (1.00) CTSCCTSK
SCHEMBL22643350 0.92 CTSC (1.00) CTSCCTSK
SCHEMBL16064732 0.92 CTSC (1.00) CTSCCTSK
SCHEMBL22642974 0.91 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