SCHEMBL29945848

SCHEMBL29945848

Clc1ccc(COn2ccc(C3CCNCC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTR3A P46098 1/20 0.37
PRMT5 O14744 1/20 0.36
MAP4K3 Q8IVH8 1/20 0.36
REN P00797 2/20 0.35
HTR1A P08908 3/20 0.34
GRM2 Q14416 1/20 0.34
ABCB1 P08183 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 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
SCHEMBL29945922 0.87 SLC6A2 (0.48) HTR6SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL29946087 0.85 CYP19A1 (0.39) HTR6SLC6A2SLC6A4SLC6A3PRMT5
SCHEMBL29946103 0.81 SLC6A2 (0.39) HTR6SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL29946020 0.75 MEN1 (0.48) SMN1; SMN2PRMT5ALDH1A1KMT2A
SCHEMBL29946017 0.75 MEN1 (0.48) SMN1; SMN2PRMT5ALDH1A1KMT2A
SCHEMBL29946162 0.73 HTR6 (0.49) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL23410958 0.72 HTR3A (0.42) NPC1RAB9ASMN1; SMN2HTR3AALDH1A1
SCHEMBL29945896 0.70 HTR6 (0.37) HTR6SLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL29976024 0.69 HTR6 (0.51) HTR6SLC6A2SLC6A4SLC6A3PRMT5
SCHEMBL8017108 0.68 PLAT (0.38)

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