SCHEMBL29945979

SCHEMBL29945979

CC(C)(C)OC(=O)n1ccc(OCc2ccc(Cl)cc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PTGER1 P34995 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
TBXA2R P21731 2/20 0.41
PTGS1 P23219 2/20 0.41
CYP2C19 P33261 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 2/20 0.39
GPR119 Q8TDV5 2/20 0.39
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
GLP1R P43220 1/20 0.37

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
SCHEMBL29945948 0.89 MAOB (0.45) KDM5AKDM5BPTGER1GPR119HTR2C
SCHEMBL24265933 0.84 GPR119 (0.42) GPR119
SCHEMBL29573851 0.84 GPR119 (0.42) GPR119
SCHEMBL29945877 0.82 GPR119 (0.43) CYP3A4CYP3A5GPR119
SCHEMBL30468806 0.76 GPR119 (0.46) CYP3A4CYP3A5GPR119GLP1R
SCHEMBL26913982 0.76 GLP1R (0.51) CYP3A4CYP3A5GPR119GLP1R
SCHEMBL21438728 0.76 BCHE (0.33) GPR119
SCHEMBL20029774 0.75 GPR119 (0.39) GPR119
SCHEMBL31670786 0.75 GLP1R (0.46) CYP3A4CYP3A5GLP1R
SCHEMBL24265552 0.75 PKM (0.47) PTGER1CYP2C9GPR119

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-2022184849-A1 GLP-1R AGONISTS, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF LES LABORATOIRES SERVIER (FR) 2022-09-09 WO disclosed