SCHEMBL13628673

SCHEMBL13628673

CC(C)NOC(CN(C)c1cc(N)ccn1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.32
AOC3 Q16853 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
NUDT1 P36639 2/20 0.32
LCK P06239 2/20 0.30
HRH4 Q9H3N8 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NR3C2 P08235 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
SCHEMBL13628538 0.88 ASIC3 (0.33) ASIC3AOC3LNPEPNUDT1HRH4
SCHEMBL13628956 0.84 CYP2D6 (0.37) AOC3ADRA2AADRA2BADRA2C
SCHEMBL13628514 0.76 HTR7 (0.39) HRH4NR3C2
SCHEMBL13628668 0.73 HRH3 (0.36) HRH4
SCHEMBL13628513 0.71 CYP2D6 (0.39) ADRA2AADRA2BADRA2C
SCHEMBL13628670 0.64 CYP1A2 (0.46)
SCHEMBL13628672 0.64 CYP2D6 (0.55)
SCHEMBL13628669 0.64 CYP2D6 (0.39) ASIC3NR3C2
SCHEMBL25453079 0.63 EGFR (0.48) ASIC3
SCHEMBL13658798 0.63 HRH3 (0.62) ASIC3HRH4ADRA2AADRA2BADRA2C

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