SCHEMBL29582249

SCHEMBL29582249

CO[C@@H]1C[C@H](C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)N(C(=O)Nc2ccc(Cl)cn2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 10/20 1.00
▸ F10 P00742 10/20 0.53
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL20584342 1.00 KLKB1 (1.00) KLKB1F10KCNH2
SCHEMBL24012263 0.89 KLKB1 (0.81) KLKB1F10KCNH2
SCHEMBL31456861 0.87 KLKB1 (0.77) KLKB1F10KCNH2
SCHEMBL28938012 0.86 KLKB1 (0.76) KLKB1F10
SCHEMBL20584258 0.85 KLKB1 (0.74) KLKB1F10KCNH2
SCHEMBL24570274 0.85 KLKB1 (0.74) KLKB1F10KCNH2
SCHEMBL29580848 0.85 KLKB1 (0.74) KLKB1F10KCNH2
SCHEMBL21726679 0.84 KLKB1 (0.73) KLKB1F10
SCHEMBL20446513 0.84 KLKB1 (0.72) KLKB1F10
SCHEMBL20446556 0.84 KLKB1 (0.72) KLKB1F10

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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