SCHEMBL31098019

SCHEMBL31098019

COC1C[C@H](OCc2ccc3ccccc3c2)[C@@H](CO)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 3/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
HTR3A P46098 1/20 0.45
HTR4 Q13639 1/20 0.45
KCNH2 Q12809 2/20 0.41
PDE4D Q08499 1/20 0.41
REN P00797 7/20 0.39
SSTR5 P35346 2/20 0.38
SSTR1 P30872 1/20 0.38
SSTR2 P30874 1/20 0.38
SSTR4 P31391 1/20 0.38
SSTR3 P32745 1/20 0.38
MCHR1 Q99705 1/20 0.37
LGALS3 P17931 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL31098015 0.91 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL10807993 0.85 PDE4D (0.54) SLC6A2PDE4D
SCHEMBL31098052 0.81 REN (0.41) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL10755807 0.77 PDE4D (0.51) SLC6A2PDE4D
SCHEMBL1776370 0.77 PDE4D (0.51) SLC6A2PDE4D
SCHEMBL1776369 0.77 PDE4D (0.51) SLC6A2PDE4D
SCHEMBL10755806 0.77 PDE4D (0.51) SLC6A2PDE4D
SCHEMBL1776371 0.77 PDE4D (0.51) SLC6A2PDE4D
SCHEMBL31098074 0.74 REN (0.38) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL22111532 0.73 PDE4D (0.43) SLC6A2PDE4DSSTR5SSTR1SSTR2

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-2024188302-A1 NUCLEOSIDE ANALOGUE TARGETING TELOMERASE AND USE THEREOF 上海华汇拓医药科技有限公司 2024-09-19 WO disclosed