SCHEMBL23693285

SCHEMBL23693285

N#CC1(NC(=O)C2(NC(=O)c3ccc4c(c3)oc3cc(N5CCOCC5=O)ccc34)CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 12/20 0.46
▸ CTSS P25774 13/20 0.45
▸ CTSB P07858 12/20 0.45
▸ CTSK P43235 7/20 0.45
▸ F10 P00742 4/20 0.39
▸ CTSD P07339 1/20 0.36
▸ DGAT2 Q96PD7 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
SCHEMBL23693699 0.83 CTSS (0.42) CTSLCTSSCTSBCTSKF10
SCHEMBL23673493 0.82 CTSB (0.57) CTSLCTSSCTSBCTSKCTSD
SCHEMBL23693289 0.79 CTSL (0.52) CTSLCTSSCTSBCTSKF10
SCHEMBL23693711 0.79 CTSL (0.56) CTSLCTSSCTSBCTSK
SCHEMBL23693973 0.78 F10 (0.42) CTSLCTSSCTSBCTSKF10
SCHEMBL23693620 0.78 CTSB (0.54) CTSLCTSSCTSBCTSKCTSD
SCHEMBL6184450 0.77 CTSL (0.72) CTSLCTSSCTSBCTSKCTSD
SCHEMBL23673484 0.76 CTSL (0.50) CTSLCTSSCTSBCTSKF10
Trifluoroacetic Acid SCHEMBL23673580 0.74 CTSB (0.49) CTSLCTSSCTSBCTSKCTSD
SCHEMBL23693873 0.74 CTSB (0.47) CTSLCTSSCTSBCTSKCTSD

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
WO-2021147882-A1 DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-07-29 — — WO disclosed
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