SCHEMBL30020893

SCHEMBL30020893

COC(=O)c1ccc(N)c(NC[C@@H]2CCO2)c1.O=C(O)c1ccc2nc(S)n(C[C@@H]3CCO3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 2/20 0.39
▸ HCAR3 P49019 1/20 0.38
▸ GLP1R P43220 15/20 0.38
▸ PTGER4 P35408 1/20 0.37

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
SCHEMBL30948847 0.97 ACSS2 (0.40) ACSS2PTGER4
SCHEMBL24900216 0.85 ALDH1A1 (0.46) ACSS2GLP1RPTGER4
SCHEMBL30020631 0.85 ALDH1A1 (0.46) ACSS2GLP1RPTGER4
SCHEMBL24900218 0.85 ALDH1A1 (0.46) ACSS2GLP1RPTGER4
SCHEMBL24900074 0.81 ALDH1A1 (0.52) ACSS2
SCHEMBL30021048 0.81 ALDH1A1 (0.52) ACSS2
SCHEMBL30020881 0.81 ALDH1A1 (0.52) ACSS2
SCHEMBL24900073 0.81 ALDH1A1 (0.52) ACSS2
SCHEMBL20288191 0.80 KMT2A (0.46) HCAR3PTGER4
SCHEMBL29825443 0.80 KMT2A (0.46) HCAR3PTGER4

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-115279750-A GLP-1 receptor agonist, pharmaceutical composition containing same and preparation method thereof 株式会社LG化学 2022-11-01 — — CN disclosed
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