SCHEMBL28770976

SCHEMBL28770976

COC(=O)C(CC1CCC(=O)C1)c1ccc(F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.47
▸ SLC6A3 Q01959 11/20 0.42
▸ SLC6A2 P23975 4/20 0.42
▸ SLC6A4 P31645 4/20 0.42
▸ SCN8A Q9UQD0 1/20 0.38
▸ CHRM3 P20309 6/20 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
SCHEMBL2643176 0.90 SLC6A3 (0.50) GCKSLC6A3SLC6A2SLC6A4
SCHEMBL29274096 0.85 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4
SCHEMBL21882874 0.84 GCK (0.65) GCKSLC6A3SLC6A2SLC6A4
SCHEMBL21820744 0.84 GCK (0.47) GCKSLC6A3SLC6A2SLC6A4
SCHEMBL2643141 0.84 GCK (0.65) GCKSLC6A3SLC6A2SLC6A4
SCHEMBL21883385 0.82 GCK (0.46) GCKSLC6A3
SCHEMBL2642151 0.77 GCK (0.57) GCKSLC6A3SLC6A2SLC6A4
SCHEMBL2650793 0.76 SLC6A3 (0.58) SLC6A3SLC6A2SLC6A4
SCHEMBL25285962 0.76 L3MBTL1 (0.44) SLC6A3SLC6A2SLC6A4
SCHEMBL31038333 0.76 L3MBTL1 (0.44) SLC6A3SLC6A2SLC6A4

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-114539168-B Method for synthesizing Piraglatin and analogues thereof 武汉大学 2023-11-17 — — CN disclosed
CN-114539168-A Method for synthesizing Piraglianin and analogues thereof 武汉大学 2022-05-27 — — CN disclosed
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