SCHEMBL29945896

SCHEMBL29945896

N#Cc1ccc(COn2ccc(C3CCNCC3)n2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.37
KDM1A O60341 4/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
KCNH2 Q12809 4/20 0.34
HTR1A P08908 2/20 0.34
HTR3A P46098 1/20 0.34
GLP1R P43220 5/20 0.34
CYP2C8 P10632 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
MAP3K12 Q12852 1/20 0.33

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
SCHEMBL29946162 0.87 HTR6 (0.49) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL29946103 0.85 SLC6A2 (0.39) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29946087 0.82 CYP19A1 (0.39) HTR6KDM1AJAK2JAK3SLC6A2
SCHEMBL29945852 0.80 GPR119 (0.53) JAK2JAK3GPR119
SCHEMBL24497811 0.75 GLP1R (0.51) HTR6KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL29687402 0.75 GLP1R (0.51) HTR6KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL29945922 0.75 SLC6A2 (0.48) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL24455365 0.74 HTR6 (0.46) HTR6KDM1ATLR7SLC6A2SLC6A4
SCHEMBL20280066 0.74 GLP1R (0.52) KCNH2HTR1AGLP1RCYP2C8
SCHEMBL29518203 0.74 GLP1R (0.52) KCNH2HTR1AGLP1RCYP2C8

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