SCHEMBL30951784

SCHEMBL30951784

CN(C)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](N=[N+]=[N-])C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.37
▸ MAOB P27338 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ SYK P43405 1/20 0.31
▸ CTSK P43235 2/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 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
SCHEMBL13618973 0.91 BTK (0.37) BTKMAOBMAOAKDM1ASYK
SCHEMBL13618997 0.91 BTK (0.37) BTKMAOBMAOAKDM1ASYK
SCHEMBL13631330 0.91 BTK (0.37) BTKMAOBMAOAKDM1ASYK
SCHEMBL30880111 0.88 MMP2 (0.30) —
SCHEMBL13696126 0.87 BTK (0.51) BTKMAOBMAOAKDM1ASYK
SCHEMBL15016060 0.87 BTK (0.51) BTKMAOBMAOAKDM1ASYK
SCHEMBL15016061 0.87 BTK (0.51) BTKMAOBMAOAKDM1ASYK
SCHEMBL13618937 0.86 BTK (0.39) BTKMAOBMAOAKDM1ASYK
SCHEMBL13618940 0.86 BTK (0.39) BTKMAOBMAOAKDM1ASYK
SCHEMBL16664797 0.82 BTK (0.36) BTKMAOBMAOAKDM1ASYK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4438592-B1 EDOXABAN INTERMEDIATE AND PREPARATION METHOD THEREFOR SHANGHAI BIOS TECH CO LTD (CN) 2026-02-11 — — EP disclosed
EP-4438592-A1 EDOXABAN INTERMEDIATE AND PREPARATION METHOD THEREFOR Shanghai Bios Technology Co., Ltd. (CN) 2024-10-02 — — EP disclosed
WO-2024092892-A1 EDOXABAN INTERMEDIATE AND PREPARATION METHOD THEREFOR 上海柏狮生物科技有限公司 2024-05-10 — — WO disclosed
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