SCHEMBL31456817

SCHEMBL31456817

CCC1(O)C[C@H](C(=O)Nc2cc(C(CCC3CC3)(N[S@@+]([O-])C(C)(C)C)c3ccccn3)ccc2F)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 17/20 0.47
▸ F10 P00742 2/20 0.37
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL20446618 1.00 KLKB1 (0.47) KLKB1F10MEN1KMT2A
SCHEMBL26777607 1.00 KLKB1 (0.47) KLKB1F10MEN1KMT2A
SCHEMBL21726715 0.94 KLKB1 (0.47) KLKB1F10
SCHEMBL31456826 0.91 KLKB1 (0.51) KLKB1F10
SCHEMBL20446625 0.91 KLKB1 (0.51) KLKB1F10
SCHEMBL20584591 0.91 KLKB1 (0.51) KLKB1F10
SCHEMBL31456816 0.89 KLKB1 (0.47) KLKB1F10MEN1KMT2A
SCHEMBL21726675 0.89 KLKB1 (0.61) KLKB1MEN1KMT2A
SCHEMBL28721887 0.89 KLKB1 (0.61) KLKB1MEN1KMT2A
SCHEMBL20446637 0.89 KLKB1 (0.61) KLKB1MEN1KMT2A

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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