SCHEMBL29946103

SCHEMBL29946103

Fc1cc(Cl)ccc1COn1ccc(C2CCNCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HTR6 P50406 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MCHR1 Q99705 2/20 0.35
HTR1A P08908 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 2/20 0.34
ACP1 P24666 1/20 0.34
GLP1R P43220 2/20 0.34
CXCR3 P49682 1/20 0.34
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TGFBR1 P36897 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 0.89 HTR6 (0.49) SLC6A2SLC6A4SLC6A3HTR6HTR1A
SCHEMBL29945896 0.85 HTR6 (0.37) SLC6A2SLC6A4SLC6A3HTR6HTR1A
SCHEMBL29945848 0.81 HTR6 (0.46) SLC6A2SLC6A4SLC6A3HTR6NPC1
SCHEMBL29945924 0.78 TRPV3 (0.44) KMT2A
SCHEMBL29945922 0.76 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR6NPC1
SCHEMBL29945981 0.75 HTR6 (0.41) SLC6A2SLC6A4SLC6A3HTR6MCHR1
SCHEMBL24321623 0.75 HTR6 (0.49) SLC6A2SLC6A4SLC6A3HTR6NPC1
SCHEMBL20267985 0.73 GLP1R (0.55) KCNH2GLP1R
SCHEMBL22402438 0.73 HTR6 (0.47) SLC6A2SLC6A4SLC6A3HTR6NPC1
SCHEMBL29394844 0.73 GLP1R (0.55) KCNH2GLP1R

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