SCHEMBL30385298

SCHEMBL30385298

COc1ccc(-c2nnc(-c3ccc4nc(-c5c(C)cc(CCC(=O)O)cc5C)[nH]c4c3)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 1.00
▸ CHEK2 O96017 4/20 0.47
▸ GUSB P08236 2/20 0.46
▸ SLC2A1 P11166 1/20 0.44
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL1252216 1.00 DGAT1 (1.00) DGAT1CHEK2GUSBSLC2A1PTGDR2
SCHEMBL1252747 0.92 DGAT1 (0.85) DGAT1CHEK2GUSBSLC2A1
SCHEMBL1252030 0.91 DGAT1 (0.83) DGAT1CHEK2
SCHEMBL31326547 0.91 DGAT1 (0.83) DGAT1CHEK2
SCHEMBL10299677 0.91 DGAT1 (0.83) DGAT1CHEK2GUSB
SCHEMBL1250496 0.89 DGAT1 (0.80) DGAT1CHEK2GUSB
SCHEMBL25216331 0.88 DGAT1 (0.78) DGAT1GUSBSLC2A1
SCHEMBL21354092 0.86 DGAT1 (1.00) DGAT1CHEK2GUSBSLC2A1PTGDR2
SCHEMBL30565806 0.86 DGAT1 (1.00) DGAT1CHEK2GUSBSLC2A1PTGDR2
SCHEMBL1252194 0.86 DGAT1 (0.75) DGAT1CHEK2GUSBSLC2A1

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
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
WO-2023084449-A1 DIAMINOCYCLOPENTYLPYRIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS AG (CH) 2023-05-19 — — WO disclosed
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