SCHEMBL28540333

SCHEMBL28540333

CC(=O)ON1CCN(c2cccnc2OCc2ccc(Cl)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM5 P41594 3/20 0.41
MC4R P32245 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
PTGER1 P34995 5/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
TBXA2R P21731 2/20 0.39
PTGS1 P23219 2/20 0.39
CYP2C19 P33261 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 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
SCHEMBL23235736 0.85 GRM5 (0.48) MEN1NPC1MAPTKMT2AGRM5
SCHEMBL23235685 0.83 L3MBTL1 (0.45) MEN1NPC1MAPTKMT2AGRM5
SCHEMBL30676101 0.83 L3MBTL1 (0.45) MEN1NPC1MAPTKMT2AGRM5
SCHEMBL28543738 0.83 P2RX7 (0.43)
SCHEMBL23929009 0.83 GPR119 (0.51) MEN1NPC1MAPTKMT2AGRM5
SCHEMBL30269629 0.81 NPC1 (0.46) MEN1NPC1MAPTKMT2AGRM5
SCHEMBL23235689 0.81 HTR1A (0.55)
SCHEMBL30676112 0.81 HTR1A (0.55)
SCHEMBL25088370 0.80 GRM5 (0.39) MEN1NPC1MAPTKMT2AGRM5
SCHEMBL28545272 0.79 KCNH2 (0.41) KDM5AKDM5B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112566637-B GLP-1 receptor agonists and uses thereof 辉瑞公司 2023-11-14 CN disclosed
CN-112566637-A GLP-1 receptor agonists and uses thereof 辉瑞公司 2021-03-26 CN disclosed