SCHEMBL29958147

SCHEMBL29958147

CCCCCCOC(=O)NC(=N)c1cc(C)c(CNc2cc(OCc3cn4cc(C5CC5)ccc4n3)nc(C(=O)O)n2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.34
▸ METTL3 Q86U44 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL27033616 1.00 KLKB1 (0.34) KLKB1METTL3CNR1
SCHEMBL27033578 0.95 KLKB1 (0.34) KLKB1METTL3CNR1
SCHEMBL29958101 0.95 KLKB1 (0.34) KLKB1METTL3CNR1
SCHEMBL27033429 0.94 KLKB1 (0.37) KLKB1METTL3
SCHEMBL29958081 0.94 KLKB1 (0.37) KLKB1METTL3
SCHEMBL29958120 0.91 KLKB1 (0.33) KLKB1METTL3CNR1
SCHEMBL27033542 0.91 KLKB1 (0.33) KLKB1METTL3CNR1
SCHEMBL29958121 0.91 KLKB1 (0.35) KLKB1METTL3CNR1
SCHEMBL29957797 0.90 KLKB1 (0.33) KLKB1METTL3CNR1
SCHEMBL27033661 0.90 KLKB1 (0.33) KLKB1METTL3CNR1

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
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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