SCHEMBL29076290

SCHEMBL29076290

COc1cccc2c3c([nH]c12)CCN(C(=O)C1CCCC[C@H]1C(=O)NC1COCC1=O)C3

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 17/20 0.52
▸ CTSB P07858 5/20 0.43
▸ CTSS P25774 1/20 0.43

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
SCHEMBL30497445 1.00 CTSK (0.52) CTSKCTSBCTSS
SCHEMBL29076287 1.00 CTSK (0.52) CTSKCTSBCTSS
SCHEMBL30497440 0.90 CTSK (0.65) CTSKCTSBCTSS
SCHEMBL30497439 0.90 CTSK (0.65) CTSKCTSBCTSS
SCHEMBL29076135 0.90 CTSK (0.65) CTSKCTSBCTSS
SCHEMBL29076137 0.90 CTSK (0.65) CTSKCTSBCTSS
SCHEMBL30497449 0.88 CTSK (0.51) CTSKCTSBCTSS
SCHEMBL25309469 0.88 CTSB (0.47) CTSKCTSBCTSS
SCHEMBL30497446 0.88 CTSB (0.47) CTSKCTSBCTSS
SCHEMBL29076293 0.85 CTSK (0.61) CTSKCTSBCTSS

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-116514804-A Cathepsin K inhibitor, preparation method and application thereof 山东新时代药业有限公司 2023-08-01 — — CN claimed
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