SCHEMBL13628668

SCHEMBL13628668

CC(C)NOCCN(C)c1cc(N)ccn1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
HRH4 Q9H3N8 5/20 0.35
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL13628526 0.85 HRH3 (0.39) HRH3HRH4
SCHEMBL13628675 0.79 MAPT (0.46)
SCHEMBL13658798 0.75 HRH3 (0.62) HRH3HRH4
SCHEMBL15986823 0.73 POLB (0.53) HRH3HRH4LRRK2
SCHEMBL13628673 0.73 ASIC3 (0.32) HRH4
SCHEMBL16065280 0.70 HRH3 (0.40) HRH3
SCHEMBL13390779 0.67 ALDH1A1 (0.52)
SCHEMBL3658312 0.67 ADORA2A (0.44) HRH3
SCHEMBL13628538 0.64 ASIC3 (0.33) HRH4
SCHEMBL3436775 0.63 LRRK2 (0.40) HRH3HRH4LRRK2

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