SCHEMBL29945954

SCHEMBL29945954

N#Cc1ccc(COc2ccn(C3CCNCC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.40
SPHK2 Q9NRA0 1/20 0.40
KCNH2 Q12809 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
MAOB P27338 1/20 0.38
MAP4K3 Q8IVH8 2/20 0.37
SCN7A Q01118 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALK Q9UM73 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL29945931 0.85 MAP4K3 (0.50) SLC6A2SLC6A4SLC6A3MAP4K3SIGMAR1
SCHEMBL24265554 0.85 MAP4K3 (0.48) KDM1ASLC6A2SLC6A4SLC6A3GABRA1
SCHEMBL29946073 0.84 MAP4K3 (0.49) SLC6A2SLC6A4SLC6A3GABRA1GABRG2
SCHEMBL29946008 0.83 INPPL1 (0.43) KDM1AKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL29945912 0.82 KDM1A (0.39) KDM1AKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL29945962 0.79 GPR119 (0.53)
SCHEMBL29946021 0.77 INPPL1 (0.43) KDM1AMAP4K3SIGMAR1
SCHEMBL14635365 0.76 SIGMAR1 (0.43) SIGMAR1ALK
SCHEMBL29946038 0.73 KDM5A (0.45) KDM1ASPHK2KCNH2SLC6A2SLC6A4
SCHEMBL29946013 0.72 MAP4K3 (0.39) MAP4K3SIGMAR1ALK

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