SCHEMBL31456809

SCHEMBL31456809

COC1CC(C(=O)Nc2cc(C(CCC3CC3)(N[S@+]([O-])C(C)(C)C)c3cccc(C#N)c3)ccc2F)N(C(=O)O)C1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.63
▸ F10 P00742 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
SCHEMBL20584370 1.00 KLKB1 (0.63) KLKB1F10
SCHEMBL20584470 0.92 KLKB1 (0.51) KLKB1F10
SCHEMBL20584512 0.92 KLKB1 (0.72) KLKB1F10
SCHEMBL29581390 0.92 KLKB1 (0.72) KLKB1F10
SCHEMBL31456875 0.92 KLKB1 (0.72) KLKB1F10
SCHEMBL23651325 0.92 KLKB1 (0.72) KLKB1F10
SCHEMBL21726693 0.92 KLKB1 (0.58) KLKB1
SCHEMBL29489468 0.92 KLKB1 (0.58) KLKB1
SCHEMBL31456844 0.91 KLKB1 (0.64) KLKB1
SCHEMBL20446607 0.91 KLKB1 (0.64) 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
Send feedback