SCHEMBL30745385

SCHEMBL30745385

CC(C)(C)OC(=O)N1CC=CC1c1cccc(COS(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 13/20 0.40
▸ NR1H3 Q13133 12/20 0.40
▸ HCRTR2 O43614 1/20 0.37
▸ RXRA P19793 1/20 0.35
▸ STS P08842 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ GHSR Q92847 1/20 0.35

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
SCHEMBL30745350 0.85 NR1H2 (0.42) NR1H2NR1H3RXRA
SCHEMBL30745393 0.79 MRGPRX4 (0.47) —
SCHEMBL22861508 0.78 RORC (0.43) NR1H2NR1H3HCRTR2RXRAGPR119
SCHEMBL17881905 0.78 RORC (0.43) NR1H2NR1H3HCRTR2RXRAGPR119
SCHEMBL11311051 0.78 STS (0.49) STSGPR119
SCHEMBL17747380 0.72 GPR119 (0.43) GPR119
SCHEMBL4041543 0.71 HSD11B1 (0.33) NR1H2NR1H3HCRTR2GPR119
SCHEMBL4041548 0.71 HSD11B1 (0.33) NR1H2NR1H3HCRTR2GPR119
SCHEMBL17747329 0.71 TACR1 (0.41) —
SCHEMBL29514529 0.71 GPR119 (0.39) GPR119

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-117545748-A Benzimidazolyl GLP-1GPCR receptor agonists, pharmaceutical compositions comprising the same, and methods of use thereof 卡莫特医疗有限公司 2024-02-09 — — CN disclosed
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