SCHEMBL30385333

SCHEMBL30385333

Cc1cc(CCCP(=O)(O)O)cc(C)c1-c1nc2ccc(-c3nnc(-c4ccc(Cl)cc4)o3)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.60
▸ GUSB P08236 10/20 0.52
▸ EGFR P00533 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ CHEK2 O96017 1/20 0.40

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
SCHEMBL1252815 1.00 DGAT1 (0.60) DGAT1GUSBEGFRERBB2SIRT2
SCHEMBL10299680 0.93 DGAT1 (0.62) DGAT1GUSB
SCHEMBL1250444 0.92 DGAT1 (0.63) DGAT1GUSB
SCHEMBL1252194 0.90 DGAT1 (0.75) DGAT1GUSBEGFRERBB2CHEK2
SCHEMBL1250496 0.85 DGAT1 (0.80) DGAT1GUSBEGFRERBB2SIRT2
SCHEMBL10299681 0.80 DGAT1 (0.81) DGAT1GUSBEGFRERBB2SIRT2
SCHEMBL1252721 0.80 DGAT1 (0.79) DGAT1GUSBEGFRERBB2
SCHEMBL10299677 0.78 DGAT1 (0.83) DGAT1GUSBCHEK2
SCHEMBL1252723 0.78 DGAT1 (0.63) DGAT1GUSBEGFRERBB2SIRT2
SCHEMBL31326544 0.78 DGAT1 (0.63) DGAT1GUSBEGFRERBB2SIRT2

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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