SCHEMBL18616645

SCHEMBL18616645

N#CC1(NC(=O)C2(NC(=O)c3cc4ccc(-c5ccc(OC6CCS(=O)(=O)CC6)cc5)cc4o3)CCC(F)(F)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 9/20 0.39
▸ CTSL P07711 7/20 0.39
▸ CTSB P07858 6/20 0.39
▸ CTSK P43235 5/20 0.36
▸ CACNA1H O95180 1/20 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
SCHEMBL20335400 0.95 CTSL (0.39) CTSSCTSLCTSBCTSKCACNA1H
SCHEMBL18615855 0.90 CTSL (0.36) CTSSCTSLCTSBCTSKCACNA1H
SCHEMBL23810282 0.89 CTSL (0.42) CTSSCTSLCTSBCTSKCACNA1H
SCHEMBL18616557 0.88 CTSL (0.38) CTSSCTSLCTSBCTSK
SCHEMBL18616686 0.84 CTSL (0.38) CTSSCTSLCTSBCTSK
SCHEMBL18615963 0.83 CTSL (0.36) CTSSCTSLCTSBCTSK
SCHEMBL18615985 0.82 CTSL (0.38) CTSSCTSLCTSBCTSK
SCHEMBL20341776 0.82 ACACB (0.32) CTSSCTSLCTSBCACNA1H
SCHEMBL20341792 0.82 CTSL (0.36) CTSSCTSLCTSBCTSKCACNA1H
SCHEMBL23810230 0.82 CTSL (0.34) CTSSCTSLCTSBCTSKCACNA1H

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 5 patents. 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
EP-3342765-B1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2021-09-15 — — EP disclosed
EP-3342765-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-07-04 — — EP disclosed
EP-3342765-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-07-04 — — EP disclosed
WO-2017036357-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF 广东东阳光药业有限公司 2017-03-09 — — WO disclosed
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