SCHEMBL18615985

SCHEMBL18615985

N#CC1(NC(=O)C2(NC(=O)c3cc4ccc(-c5ccc(N6CCCS6(=O)=O)cc5)cc4o3)CCC(F)(F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.38
▸ CTSK P43235 8/20 0.35
▸ UTRN P46939 1/20 0.34
▸ CDK1 P06493 4/20 0.33
▸ CDK4 P11802 4/20 0.33
▸ CDK2 P24941 4/20 0.33
▸ CTSS P25774 5/20 0.33
▸ CTSB P07858 4/20 0.33
▸ TACR2 P21452 1/20 0.32
▸ POLB P06746 1/20 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
SCHEMBL20335451 0.93 CTSL (0.38) CTSLCTSKCTSSCTSBTACR2
SCHEMBL18617379 0.86 NPC1 (0.42) CTSLCTSKCTSSCTSBTACR2
SCHEMBL20341759 0.85 CTSL (0.36) CTSLCTSKCTSSCTSBTACR2
SCHEMBL18615858 0.84 CTSL (0.37) CTSLCTSKCTSS
SCHEMBL18616005 0.84 CTSL (0.37) CTSLCTSKCTSS
SCHEMBL23810273 0.84 CTSL (0.36) CTSLCTSKCTSSCTSBTACR2
SCHEMBL18616686 0.83 CTSL (0.38) CTSLCTSKCTSSCTSB
SCHEMBL20341783 0.83 CTSL (0.35) CTSLCTSKCTSSTACR2
SCHEMBL18615860 0.83 CTSL (0.35) CTSLCTSKCTSSCTSB
SCHEMBL18616557 0.83 CTSL (0.38) CTSLCTSKCTSSCTSBTACR2

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 6 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
CN-107922315-B Cathepsin K inhibitors and uses thereof 广东东阳光药业有限公司 2021-03-26 — — CN 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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