SCHEMBL29581390

SCHEMBL29581390

CO[C@@H]1C[C@H](C(=O)Nc2cc(C(CCC3CC3)(N[S@+]([O-])C(C)(C)C)c3cccc(C#N)c3)ccc2F)N(C(=O)Nc2ccc(C#N)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.72
▸ F10 P00742 2/20 0.41
▸ CFD P00746 2/20 0.34

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
SCHEMBL20584512 1.00 KLKB1 (0.72) KLKB1F10CFD
SCHEMBL31456875 1.00 KLKB1 (0.72) KLKB1F10CFD
SCHEMBL23651325 1.00 KLKB1 (0.72) KLKB1F10CFD
SCHEMBL21726659 0.96 KLKB1 (0.78) KLKB1F10CFD
SCHEMBL20584304 0.96 KLKB1 (0.78) KLKB1F10CFD
SCHEMBL31456772 0.96 KLKB1 (0.78) KLKB1F10CFD
SCHEMBL21726708 0.96 KLKB1 (0.78) KLKB1F10CFD
SCHEMBL24570413 0.96 KLKB1 (0.78) KLKB1F10CFD
SCHEMBL22654250 0.96 KLKB1 (0.78) KLKB1F10CFD
SCHEMBL29638920 0.96 KLKB1 (0.78) KLKB1F10CFD

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
CN-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 — — CN disclosed
CN-114591212-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-06-07 — — CN disclosed
CN-108289893-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-04-12 — — CN disclosed
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