SCHEMBL29879731

SCHEMBL29879731

O=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ncn1)[C@@H]1[C@@H](F)[C@H]1c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.41
▸ KLKB1 P03952 17/20 0.40
▸ METTL3 Q86U44 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.36

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
SCHEMBL24737670 1.00 DGAT1 (0.41) DGAT1KLKB1METTL3LRRK2
SCHEMBL29136925 0.91 KLKB1 (0.41) DGAT1KLKB1METTL3
SCHEMBL29879204 0.91 KLKB1 (0.41) DGAT1KLKB1METTL3
SCHEMBL29136798 0.91 KLKB1 (0.41) DGAT1KLKB1METTL3
SCHEMBL24737981 0.91 KLKB1 (0.41) DGAT1KLKB1METTL3
SCHEMBL29879162 0.91 KLKB1 (0.41) DGAT1KLKB1METTL3
SCHEMBL29136795 0.91 KLKB1 (0.41) DGAT1KLKB1METTL3
SCHEMBL29879428 0.91 KLKB1 (0.41) DGAT1KLKB1METTL3
SCHEMBL29879418 0.91 KLKB1 (0.41) DGAT1KLKB1METTL3
SCHEMBL29880266 0.91 KLKB1 (0.41) DGAT1KLKB1METTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 — — EP disclosed
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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