SCHEMBL31456825

SCHEMBL31456825

CC(C)(C)OC(=O)N1C[C@@](O)(C2CC2)C[C@@H]1C(=O)Nc1cc([C@](CCC2CC2)(N[S@+]([O-])C(C)(C)C)c2ccncc2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.42
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL24012199 1.00 KLKB1 (0.42) KLKB1LMNANPSR1
SCHEMBL20584250 1.00 KLKB1 (0.42) KLKB1LMNANPSR1
SCHEMBL20446630 0.92 KLKB1 (0.43) KLKB1LMNANPSR1
SCHEMBL20584479 0.92 KLKB1 (0.43) KLKB1LMNANPSR1
SCHEMBL29489482 0.92 KLKB1 (0.43) KLKB1LMNANPSR1
SCHEMBL20584309 0.91 KLKB1 (0.44) KLKB1
SCHEMBL24012306 0.91 KLKB1 (0.44) KLKB1
SCHEMBL29489470 0.91 KLKB1 (0.44) KLKB1
SCHEMBL21726716 0.91 KLKB1 (0.39) KLKB1
SCHEMBL21700374 0.90 KLKB1 (0.50) KLKB1

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 1 patent. 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
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