SCHEMBL29945912

SCHEMBL29945912

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.39
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 3/20 0.37
HTR6 P50406 1/20 0.37
KCNH2 Q12809 4/20 0.36
GPR119 Q8TDV5 2/20 0.36
HTR3A P46098 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
ALK Q9UM73 1/20 0.36
GLP1R P43220 4/20 0.35
MAP4K3 Q8IVH8 1/20 0.35
PRMT5 O14744 1/20 0.35
EGFR P00533 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2C8 P10632 1/20 0.35

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
SCHEMBL29946008 0.88 INPPL1 (0.43) KDM1ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29946002 0.87 HTR6 (0.49) SLC6A2SLC6A4SLC6A3HTR6JAK2
SCHEMBL29945894 0.85 INPPL1 (0.46) SLC6A2SLC6A4SLC6A3HTR6KCNH2
SCHEMBL24266549 0.83 HTR6 (0.41) KDM1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL29945954 0.82 KDM1A (0.40) KDM1ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL24265672 0.82 GPR119 (0.49) GPR119
SCHEMBL24265686 0.81 KDM1A (0.44) KDM1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL29574126 0.81 KDM1A (0.44) KDM1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL24265824 0.81 HTR6 (0.44) KDM1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL24265925 0.81 INPPL1 (0.40) KDM1ASLC6A2SLC6A4SLC6A3HTR6

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