SCHEMBL29555552

SCHEMBL29555552

CC(=O)c1ccc(COc2cccc(C3CCN(Cc4nc5ccc(C(=O)O)cc5n4CC4CCO4)CC3)n2)c(OC2CC2)c1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 20/20 0.83
▸ CYP2C8 P10632 2/20 0.70
▸ KCNH2 Q12809 2/20 0.70
▸ HTR1A P08908 1/20 0.70
▸ HTR2A P28223 1/20 0.70

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
SCHEMBL24330274 1.00 GLP1R (0.83) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24329471 1.00 GLP1R (0.83) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL29554951 1.00 GLP1R (0.83) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL25956774 0.94 GLP1R (0.74) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL29554964 0.94 GLP1R (0.84) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24329601 0.94 GLP1R (0.84) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24329464 0.94 GLP1R (0.84) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL29554896 0.94 GLP1R (0.84) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24329789 0.94 GLP1R (0.73) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24329792 0.94 GLP1R (0.73) GLP1RCYP2C8KCNH2HTR1AHTR2A

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
WO-2022078152-A1 BENZIMIDAZOLONE GLP-1 RECEPTOR AGONIST AND USE THEREOF 杭州中美华东制药有限公司 2022-04-21 — — WO disclosed
Send feedback