SCHEMBL23810263

SCHEMBL23810263

C#CC1(NC(=O)C2(NC(=O)c3cc4ccc(-c5ccc(C6(OC)COC6)cc5)cc4o3)CCCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.35
▸ CTSK P43235 2/20 0.35
▸ CACNA1H O95180 8/20 0.34
▸ TACR2 P21452 3/20 0.33
▸ CTSB P07858 5/20 0.33
▸ CTSL P07711 5/20 0.32

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
SCHEMBL18615882 0.92 CTSL (0.42) CTSSCTSKCACNA1HTACR2CTSB
SCHEMBL23810272 0.85 CTSS (0.34) CTSSCTSKCACNA1HTACR2CTSB
SCHEMBL23810318 0.83 CTSL (0.41) CTSSCTSKTACR2CTSBCTSL
SCHEMBL18616610 0.82 CTSL (0.40) CTSSCTSKTACR2CTSBCTSL
SCHEMBL20341849 0.81 CTSL (0.38) CTSSCTSKTACR2CTSBCTSL
SCHEMBL18616834 0.80 CTSL (0.45) CTSSCTSKTACR2CTSBCTSL
SCHEMBL18616609 0.80 CTSL (0.45) CTSSCTSKTACR2CTSBCTSL
SCHEMBL18615883 0.80 CTSL (0.45) CTSSCTSKTACR2CTSBCTSL
SCHEMBL18615885 0.79 CTSL (0.44) CTSSCTSKCACNA1HTACR2CTSB
SCHEMBL20341812 0.79 CACNA1H (0.33) CTSSCTSKCACNA1HCTSB

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
EP-3342765-B1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2021-09-15 — — EP disclosed
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