SCHEMBL29958177

SCHEMBL29958177

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

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.40
▸ METTL3 Q86U44 1/20 0.39
▸ DGAT1 O75907 1/20 0.38

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
SCHEMBL27033741 1.00 KLKB1 (0.40) KLKB1METTL3DGAT1
SCHEMBL29957960 1.00 KLKB1 (0.40) KLKB1METTL3DGAT1
SCHEMBL27033716 1.00 KLKB1 (0.40) KLKB1METTL3DGAT1
SCHEMBL27129124 1.00 KLKB1 (0.40) KLKB1METTL3DGAT1
SCHEMBL24729464 0.87 KLKB1 (0.40) KLKB1METTL3DGAT1
SCHEMBL29926898 0.87 KLKB1 (0.40) KLKB1METTL3DGAT1
SCHEMBL29927674 0.87 KLKB1 (0.40) KLKB1METTL3DGAT1
SCHEMBL24729563 0.87 KLKB1 (0.40) KLKB1METTL3DGAT1
SCHEMBL29957969 0.86 KLKB1 (0.40) KLKB1METTL3DGAT1
SCHEMBL29957455 0.86 KMT2A (0.41) 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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