SCHEMBL29946008

SCHEMBL29946008

N#Cc1ccc(COc2ccn(C3CCNCC3)n2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 1/20 0.43
MAP4K3 Q8IVH8 2/20 0.39
PAK1 Q13153 2/20 0.39
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 3/20 0.38
KCNH2 Q12809 2/20 0.37
HTR3A P46098 1/20 0.37
ALK Q9UM73 1/20 0.35
SCN9A Q15858 1/20 0.34
KDM1A O60341 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ICMT O60725 1/20 0.34
P2RX7 Q99572 1/20 0.34
EPHX2 P34913 1/20 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
SCHEMBL29945912 0.88 KDM1A (0.39) MAP4K3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29946021 0.85 INPPL1 (0.43) INPPL1MAP4K3SCN9AKDM1ASIGMAR1
SCHEMBL29945954 0.83 KDM1A (0.40) MAP4K3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29945914 0.81 GPR119 (0.44)
SCHEMBL29945894 0.79 INPPL1 (0.46) INPPL1MAP4K3SLC6A2SLC6A4SLC6A3
SCHEMBL29946002 0.76 HTR6 (0.49) INPPL1MAP4K3SLC6A2SLC6A4SLC6A3
SCHEMBL29945931 0.76 MAP4K3 (0.50) INPPL1MAP4K3SLC6A2SLC6A4SLC6A3
SCHEMBL24265925 0.75 INPPL1 (0.40) INPPL1MAP4K3PAK1SLC6A2SLC6A4
SCHEMBL29574548 0.75 INPPL1 (0.40) INPPL1MAP4K3PAK1SLC6A2SLC6A4
SCHEMBL29946013 0.73 MAP4K3 (0.39) INPPL1MAP4K3ALKSIGMAR1

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