SCHEMBL13628538

SCHEMBL13628538

CNOC(CN(C)c1cc(N)ccn1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.33
NUDT1 P36639 2/20 0.33
LNPEP Q9UIQ6 1/20 0.31
SLC6A4 P31645 2/20 0.31
AOC3 Q16853 2/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
HRH4 Q9H3N8 2/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL13628673 0.88 ASIC3 (0.32) ASIC3NUDT1LNPEPAOC3HRH4
SCHEMBL13628513 0.83 CYP2D6 (0.39) SLC6A4SLC6A2HTR2AHRH1ADORA2A
SCHEMBL13628669 0.75 CYP2D6 (0.39) ASIC3
SCHEMBL13628956 0.71 CYP2D6 (0.37) SLC6A4AOC3SLC6A2HTR2AHRH1
SCHEMBL13628526 0.70 HRH3 (0.39) HRH4
SCHEMBL24685616 0.67 SLC6A4 (0.44) SLC6A4AOC3SLC6A2HTR2AHRH1
SCHEMBL14223777 0.65 AOC3 (0.39) SLC6A4AOC3HTR2AHRH1
SCHEMBL25453079 0.65 EGFR (0.48) ASIC3ADORA2AADORA1
SCHEMBL13658798 0.65 HRH3 (0.62) ASIC3SLC6A4SLC6A2HTR2AHRH1
SCHEMBL13628668 0.64 HRH3 (0.36) HRH4

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
US-7612197-B2 Reacting a nucleophil with OH group with an electrophil to form an adduct, reacting adduct with a reagent selected from oxidizing, sulfurizing or selenizing agents to produce hydroxy protected oligonucleotide, heating to deprotect hydroxy protecting group such as 2-(2-pyridyl)aminoethoxycarbonyl The United States of America as repesented by the Secretary of the Department of Health and Human Services (US) 2009-11-03 US disclosed