SCHEMBL30200239

SCHEMBL30200239

COC(=O)c1ccc2nc(CN3CCC(c4cccc(Cl)n4)CC3)n(C[C@@H]3CCO3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 20/20 0.60
▸ CYP2C8 P10632 2/20 0.54
▸ KCNH2 Q12809 2/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ HTR2A P28223 1/20 0.54

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
SCHEMBL24338646 1.00 GLP1R (0.60) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL29241307 1.00 GLP1R (0.60) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL30903419 1.00 GLP1R (0.60) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL29974969 0.93 GLP1R (0.59) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24330242 0.93 GLP1R (0.59) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24265545 0.93 GLP1R (0.59) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL30151557 0.93 GLP1R (0.59) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL29574129 0.93 GLP1R (0.59) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL24337904 0.91 GLP1R (0.58) GLP1RCYP2C8KCNH2HTR1AHTR2A
SCHEMBL30174424 0.91 GLP1R (0.58) 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-2023000834-A1 BENZIMIDAZOLE OR AZABENZIMIDAZOLE-6-CARBOXYLIC ACID COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2023-01-26 — — WO disclosed
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