SCHEMBL28721394

SCHEMBL28721394

CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1C(=O)Nc1cc([C@@](CCC2CC2)(NS(=O)(=O)C(C)(C)C)c2ccncc2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 15/20 0.44
▸ HDAC8 Q9BY41 4/20 0.35
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL29581741 1.00 KLKB1 (0.44) KLKB1HDAC8LMNANPSR1
SCHEMBL28721706 0.90 KLKB1 (0.42) KLKB1HDAC8
SCHEMBL28938008 0.88 KLKB1 (0.47) KLKB1
SCHEMBL29580618 0.88 KLKB1 (0.54) KLKB1LMNANPSR1
SCHEMBL28721899 0.88 KLKB1 (0.54) KLKB1LMNANPSR1
SCHEMBL29580657 0.88 KLKB1 (0.47) KLKB1
SCHEMBL24570385 0.87 KLKB1 (0.43) KLKB1HDAC8LMNANPSR1
SCHEMBL20584585 0.87 KLKB1 (0.43) KLKB1HDAC8LMNANPSR1
SCHEMBL29638954 0.87 KLKB1 (0.43) KLKB1HDAC8LMNANPSR1
SCHEMBL28724191 0.87 KLKB1 (0.46) 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-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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