SCHEMBL29958214

SCHEMBL29958214

Cc1cc(C(=N)N)cc(C)c1CNc1cc(OCc2cn3cc(C4CC4)ccc3n2)nc(CCC(=O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.37
▸ METTL3 Q86U44 1/20 0.35
▸ DGAT1 O75907 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
SCHEMBL27033576 1.00 KLKB1 (0.37) KLKB1METTL3DGAT1
Formic Acid SCHEMBL27135866 0.97 KLKB1 (0.36) KLKB1METTL3DGAT1
SCHEMBL29957962 0.93 KLKB1 (0.37) KLKB1METTL3
SCHEMBL27033951 0.93 KLKB1 (0.37) KLKB1METTL3
SCHEMBL29958265 0.92 KLKB1 (0.37) KLKB1METTL3
SCHEMBL27033992 0.92 KLKB1 (0.37) KLKB1METTL3
SCHEMBL27033963 0.91 KLKB1 (0.36) KLKB1METTL3
Formic Acid SCHEMBL27033413 0.91 KLKB1 (0.35) KLKB1METTL3
SCHEMBL29957920 0.90 KLKB1 (0.36) KLKB1METTL3
Formic Acid SCHEMBL27129646 0.90 KLKB1 (0.36) KLKB1METTL3DGAT1

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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