SCHEMBL23810294

SCHEMBL23810294

N=CC1(NC(=O)C2(NC(=O)c3cc4ccc(-c5ccc(C6(O)COC6)cc5)cc4o3)CCCCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 2/20 0.35
▸ WDR91 A4D1P6 1/20 0.32
▸ CTSS P25774 3/20 0.32
▸ CTSK P43235 1/20 0.32
▸ CTSL P07711 2/20 0.30
▸ CTSB P07858 2/20 0.30

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
SCHEMBL20341833 0.91 CTSS (0.36) TACR2CTSSCTSKCTSLCTSB
SCHEMBL23810272 0.88 CTSS (0.34) TACR2CTSSCTSKCTSLCTSB
SCHEMBL23810313 0.88 TACR2 (0.33) TACR2CTSSCTSK
SCHEMBL20341777 0.86 TACR2 (0.32) TACR2
SCHEMBL18616609 0.84 CTSL (0.45) TACR2CTSSCTSKCTSLCTSB
SCHEMBL18615883 0.84 CTSL (0.45) TACR2CTSSCTSKCTSLCTSB
SCHEMBL20341824 0.84 CTSS (0.34) TACR2CTSSCTSKCTSLCTSB
SCHEMBL18615931 0.79 CTSS (0.36) TACR2CTSSCTSKCTSLCTSB
SCHEMBL18615930 0.77 CTSL (0.46) TACR2CTSSCTSKCTSLCTSB
SCHEMBL20341822 0.77 CTSS (0.32) CTSSCTSK

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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