SCHEMBL31326547

SCHEMBL31326547

COc1ccc(Nc2nnc(-c3ccc4nc(-c5c(C)cc(CCC(=O)O)cc5C)[nH]c4c3)o2)cc1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.83
▸ GSK3B P49841 5/20 0.47
▸ KDR P35968 1/20 0.42
▸ PDCD1 Q15116 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ CHEK2 O96017 1/20 0.42

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
SCHEMBL1252030 1.00 DGAT1 (0.83) DGAT1GSK3BKDRPDCD1CD274
SCHEMBL1252922 0.94 DGAT1 (0.72) DGAT1GSK3BKDRPDCD1CD274
SCHEMBL13695119 0.92 DGAT1 (0.69) DGAT1GSK3BKDR
SCHEMBL30385298 0.91 DGAT1 (1.00) DGAT1CHEK2
SCHEMBL1252216 0.91 DGAT1 (1.00) DGAT1CHEK2
SCHEMBL1252747 0.85 DGAT1 (0.85) DGAT1KDRCHEK2
SCHEMBL1252829 0.85 DGAT1 (0.64) DGAT1PDCD1CD274
SCHEMBL10299677 0.82 DGAT1 (0.83) DGAT1CHEK2
SCHEMBL1252149 0.81 DGAT1 (0.58) DGAT1
SCHEMBL1250496 0.81 DGAT1 (0.80) DGAT1CHEK2

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
CN-113166204-B Cyclic peptides as inhibitors of proprotein convertase subtilisin/kexin type 9 (PCSK 9) for the treatment of metabolic disorders 诺华股份有限公司 2025-01-28 — — CN disclosed
CN-113166114-B Cyclic tetramer compounds as inhibitors of proprotein convertase subtilisin/KEXIN type 9 (PCSK 9) for the treatment of metabolic disorders 诺华股份有限公司 2025-01-03 — — CN disclosed
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