SCHEMBL29137014

SCHEMBL29137014

O=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)cc(O)n1)[C@H]1CC1c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.42
▸ KLKB1 P03952 12/20 0.39
▸ METTL3 Q86U44 1/20 0.39
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35

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
SCHEMBL24738588 1.00 DGAT1 (0.42) DGAT1KLKB1METTL3LMNAALDH1A1
SCHEMBL29137013 1.00 DGAT1 (0.42) DGAT1KLKB1METTL3LMNAALDH1A1
SCHEMBL29879552 1.00 DGAT1 (0.42) DGAT1KLKB1METTL3LMNAALDH1A1
SCHEMBL29136948 0.92 KLKB1 (0.42) DGAT1KLKB1METTL3ALDH1A1HTT
SCHEMBL24739954 0.92 KLKB1 (0.42) DGAT1KLKB1METTL3ALDH1A1HTT
SCHEMBL29879069 0.92 KLKB1 (0.42) DGAT1KLKB1METTL3ALDH1A1HTT
SCHEMBL29136951 0.92 KLKB1 (0.42) DGAT1KLKB1METTL3ALDH1A1HTT
SCHEMBL24737849 0.89 KLKB1 (0.41) DGAT1KLKB1METTL3ALDH1A1HTT
SCHEMBL29879449 0.89 KLKB1 (0.41) DGAT1KLKB1METTL3ALDH1A1HTT
SCHEMBL29136869 0.89 KLKB1 (0.41) DGAT1KLKB1METTL3ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 — — CN disclosed
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