SCHEMBL30948847

SCHEMBL30948847

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL30020893 0.97 ACSS2 (0.39) ACSS2PTGER4
SCHEMBL24900218 0.88 ALDH1A1 (0.46) ACSS2ALDH1A1MAPK1KMT2AMAPT
SCHEMBL30020631 0.88 ALDH1A1 (0.46) ACSS2ALDH1A1MAPK1KMT2AMAPT
SCHEMBL24900216 0.88 ALDH1A1 (0.46) ACSS2ALDH1A1MAPK1KMT2AMAPT
SCHEMBL24900074 0.83 ALDH1A1 (0.52) ACSS2ALDH1A1MAPK1KMT2AMAPT
SCHEMBL24900073 0.83 ALDH1A1 (0.52) ACSS2ALDH1A1MAPK1KMT2AMAPT
SCHEMBL30020881 0.83 ALDH1A1 (0.52) ACSS2ALDH1A1MAPK1KMT2AMAPT
SCHEMBL30021048 0.83 ALDH1A1 (0.52) ACSS2ALDH1A1MAPK1KMT2AMAPT
SCHEMBL20288191 0.83 KMT2A (0.46) ALDH1A1KMT2AMAPTRAB9AGAA
SCHEMBL29825443 0.83 KMT2A (0.46) ALDH1A1KMT2AMAPTRAB9AGAA

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-B GLP-1 receptor agonist, pharmaceutical composition containing same and preparation method thereof 株式会社LG化学 2024-06-21 — — CN disclosed
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