SCHEMBL29157103

SCHEMBL29157103

O=C(O)c1ccc2nc(CN3CCC(c4cccc(Oc5ccccc5)c4)C3)n(CC3CCO3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 20/20 0.56
▸ CYP2C8 P10632 2/20 0.56
▸ KCNH2 Q12809 2/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ HTR1A P08908 1/20 0.53

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
SCHEMBL24792547 1.00 GLP1R (0.56) GLP1RCYP2C8KCNH2HTR2AHTR1A
SCHEMBL30053945 1.00 GLP1R (0.56) GLP1RCYP2C8KCNH2HTR2AHTR1A
SCHEMBL30745365 0.92 GLP1R (0.51) GLP1RCYP2C8KCNH2HTR2A
SCHEMBL24792581 0.92 GLP1R (0.51) GLP1RCYP2C8KCNH2HTR2A
SCHEMBL26110698 0.85 GLP1R (0.71) GLP1RCYP2C8KCNH2HTR2AHTR1A
SCHEMBL26110712 0.85 GLP1R (0.71) GLP1RCYP2C8KCNH2HTR2AHTR1A
SCHEMBL29642173 0.85 GLP1R (0.71) GLP1RCYP2C8KCNH2HTR2AHTR1A
SCHEMBL30199987 0.82 GLP1R (0.54) GLP1RCYP2C8KCNH2HTR1A
SCHEMBL24791618 0.81 GLP1R (0.59) GLP1R
SCHEMBL30199788 0.81 GLP1R (0.52) GLP1RCYP2C8KCNH2HTR1A

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
Send feedback