SCHEMBL29924743

SCHEMBL29924743

CC(C)(C)OC(=O)N1CCC(=Cc2nc3ccc(C(=O)O)cc3n2C[C@@H]2CCO2)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 19/20 0.40
SRD5A2 P31213 1/20 0.39
CYP2C8 P10632 1/20 0.38
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL29149813 1.00 GLP1R (0.40) GLP1RSRD5A2CYP2C8HTR2AKCNH2
SCHEMBL29149806 1.00 GLP1R (0.40) GLP1RSRD5A2CYP2C8HTR2AKCNH2
SCHEMBL30680670 0.92 PKM (0.39)
SCHEMBL30680774 0.92 PKM (0.39)
SCHEMBL29149793 0.92 PKM (0.39)
SCHEMBL29149786 0.92 PKM (0.39)
SCHEMBL22527875 0.83 THRB (0.38)
SCHEMBL22527873 0.83 THRB (0.38)
SCHEMBL29924969 0.81 GLP1R (0.54) GLP1RCYP2C8KCNH2
SCHEMBL29149716 0.81 GLP1R (0.43) GLP1RCYP2C8HTR2AKCNH2

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-2022228490-A1 POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-11-03 WO disclosed