SCHEMBL30798307

SCHEMBL30798307

CC(C)(C)OC(=O)N1Cc2cn(-c3ccnc(OCc4ccc(Cl)cc4F)n3)nc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 2/20 0.41
GLP1R P43220 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP3A5 P20815 2/20 0.38
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
SLC6A9 P48067 1/20 0.36
KCNH2 Q12809 1/20 0.36
PTGER1 P34995 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS1 P23219 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
RXRA P19793 2/20 0.34
GRIN1 Q05586 2/20 0.34

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
SCHEMBL30798187 0.88 GPR119 (0.42) SLC34A1GPR119SLC6A9KCNH2
SCHEMBL30798361 0.83 GPR119 (0.41) GLP1RCYP3A4CYP3A5KDM5AKDM5B
SCHEMBL30798346 0.83 GPR119 (0.41) GLP1RCYP3A4CYP3A5KDM5AKDM5B
SCHEMBL22391741 0.81 GPR119 (0.50) GLP1RCYP3A4CYP3A5KDM5AKDM5B
SCHEMBL30798076 0.79 SLC34A1 (0.42) SLC34A1GPR119SLC6A9KCNH2PDK2
SCHEMBL30798193 0.77 KDM5A (0.37) GLP1RKDM5AKDM5BKCNH2PTGER1
SCHEMBL25322361 0.77 ESR2 (0.45) CYP3A4CYP3A5GPR119MKNK1ESR2
SCHEMBL30798079 0.76 SLC34A1 (0.43) SLC34A1GLP1RGPR119SLC6A9KCNH2
SCHEMBL15159353 0.76 SLC34A1 (0.43) SLC34A1CYP3A4GPR119SLC6A9KCNH2
SCHEMBL22391791 0.75 TRPV3 (0.47) GLP1RCYP3A4CYP3A5GPR119

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-2024028795-A1 HETEROBICYCLIC COMPOUNDS AS ORAL GLP1R AGONISTS ZYDUS LIFESCIENCES LIMITED (IN) 2024-02-08 WO disclosed