SCHEMBL28721676

SCHEMBL28721676

CO[C@]1(c2ccccc2)C[C@H](C(=O)Nc2cc([C@](CCC3CC3)(N[S@@+]([O-])C(C)(C)C)c3ccncc3)ccc2F)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.54
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL20446591 1.00 KLKB1 (0.54) KLKB1MEN1KMT2ALMNANPSR1
SCHEMBL22686018 1.00 KLKB1 (0.54) KLKB1MEN1KMT2ALMNANPSR1
SCHEMBL29580636 1.00 KLKB1 (0.54) KLKB1MEN1KMT2ALMNANPSR1
SCHEMBL28721887 0.92 KLKB1 (0.61) KLKB1MEN1KMT2A
SCHEMBL21726675 0.92 KLKB1 (0.61) KLKB1MEN1KMT2A
SCHEMBL20446637 0.92 KLKB1 (0.61) KLKB1MEN1KMT2A
SCHEMBL29581006 0.92 KLKB1 (0.61) KLKB1MEN1KMT2A
SCHEMBL22683222 0.91 KLKB1 (0.50) KLKB1MEN1KMT2A
SCHEMBL21700374 0.91 KLKB1 (0.50) KLKB1MEN1KMT2A
SCHEMBL31456788 0.91 KLKB1 (0.50) 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-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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