SCHEMBL30497451

SCHEMBL30497451

O=C1COC[C@@H]1NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2c([nH]c3c(F)cc(F)cc23)C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 5/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 15/20 0.41
▸ CFTR P13569 1/20 0.36
▸ APOL1 O14791 1/20 0.35

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
SCHEMBL29076335 1.00 CTSB (0.41) CTSBCTSSCTSKCFTRAPOL1
SCHEMBL29076337 1.00 CTSB (0.41) CTSBCTSSCTSKCFTRAPOL1
SCHEMBL30497450 1.00 CTSB (0.41) CTSBCTSSCTSKCFTRAPOL1
SCHEMBL30497443 0.89 CTSK (0.44) CTSBCTSSCTSK
SCHEMBL30497448 0.89 CTSK (0.44) CTSBCTSSCTSK
SCHEMBL29076234 0.89 CTSK (0.44) CTSBCTSSCTSK
SCHEMBL29076231 0.89 CTSK (0.44) CTSBCTSSCTSK
SCHEMBL25309469 0.84 CTSB (0.47) CTSBCTSSCTSK
SCHEMBL30497446 0.84 CTSB (0.47) CTSBCTSSCTSK
SCHEMBL30497449 0.82 CTSK (0.51) CTSBCTSSCTSKCFTR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118742549-A Cathepsin K inhibitor, preparation method and application thereof 山东新时代药业有限公司 2024-10-01 — — CN claimed
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
CN-118742549-A Cathepsin K inhibitor, preparation method and application thereof 山东新时代药业有限公司 2024-10-01 — — CN disclosed
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