SCHEMBL24338085

SCHEMBL24338085

COc1cccc(C2CCN(Cc3nc4ccc(C(=O)OC(C)(C)C)cc4n3C[C@@H]3CCO3)CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 20/20 0.61
▸ CYP2C8 P10632 2/20 0.57
▸ KCNH2 Q12809 2/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ HTR2A P28223 1/20 0.57

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
SCHEMBL24330220 0.92 GLP1R (0.64) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24338435 0.91 GLP1R (0.57) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL29491297 0.90 GLP1R (0.58) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL30174424 0.90 GLP1R (0.58) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL29241200 0.90 GLP1R (0.58) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24337904 0.90 GLP1R (0.58) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24338370 0.90 GLP1R (0.73) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24339292 0.87 GLP1R (0.64) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24338789 0.87 GLP1R (0.64) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24339263 0.87 GLP1R (0.66) 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-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 — — WO disclosed
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