SCHEMBL29582315

SCHEMBL29582315

COC(=O)N1CC(OC)CC1C(=O)Nc1cc(C(CCC2CC2)N2CCCCC2=O)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 14/20 0.55
▸ F10 P00742 2/20 0.39
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ OPRK1 P41145 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 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
SCHEMBL28721772 1.00 KLKB1 (0.55) KLKB1F10HCRTR1HCRTR2OPRK1
SCHEMBL20446521 0.95 KLKB1 (0.52) KLKB1F10HCRTR1HCRTR2
SCHEMBL20446528 0.95 KLKB1 (0.52) KLKB1F10HCRTR1HCRTR2
SCHEMBL20446526 0.95 KLKB1 (0.52) KLKB1F10HCRTR1HCRTR2
SCHEMBL20584258 0.87 KLKB1 (0.74) KLKB1F10KCNH2
SCHEMBL29580848 0.87 KLKB1 (0.74) KLKB1F10KCNH2
SCHEMBL20446523 0.85 KLKB1 (0.50) KLKB1F10HCRTR1HCRTR2GAA
SCHEMBL24570383 0.81 KLKB1 (0.44) KLKB1
SCHEMBL20584700 0.80 KLKB1 (0.52) KLKB1F10
SCHEMBL20584698 0.80 KLKB1 (0.52) KLKB1F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591212-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-06-07 — — CN disclosed
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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