SCHEMBL18615855

SCHEMBL18615855

N#CC1(NC(=O)C2(NC(=O)c3cc4ccc(-c5ccc(OC6COC6)cc5)cc4o3)CCC(F)(F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.36
▸ CTSS P25774 6/20 0.36
▸ CTSB P07858 5/20 0.36
▸ CTSK P43235 2/20 0.36
▸ ACACB O00763 1/20 0.32
▸ CACNA1H O95180 4/20 0.31
▸ CACNA1G O43497 1/20 0.30
▸ CACNA1I Q9P0X4 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
SCHEMBL20341776 0.92 ACACB (0.32) CTSLCTSSCTSBACACBCACNA1H
SCHEMBL23810282 0.91 CTSL (0.42) CTSLCTSSCTSBCTSKACACB
SCHEMBL18616645 0.90 CTSS (0.39) CTSLCTSSCTSBCTSKCACNA1H
SCHEMBL20335400 0.89 CTSL (0.39) CTSLCTSSCTSBCTSKCACNA1H
SCHEMBL20341846 0.88 CTSL (0.37) CTSLCTSSCTSBCTSKCACNA1H
SCHEMBL18616859 0.85 NAMPT (0.37) CTSLCTSSCTSBCTSK
SCHEMBL20341792 0.84 CTSL (0.36) CTSLCTSSCTSBCTSKCACNA1H
SCHEMBL20341849 0.84 CTSL (0.38) CTSLCTSSCTSBCTSKACACB
SCHEMBL18616640 0.84 ACACB (0.31) CTSLCTSSCTSBACACB
SCHEMBL23810245 0.84 ACACB (0.33) CTSLCTSSCTSBACACB

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 4 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-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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