SCHEMBL13628526

SCHEMBL13628526

CNOCCN(C)c1cc(N)ccn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
HRH4 Q9H3N8 4/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
PKM P14618 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL13628668 0.85 HRH3 (0.36) HRH3HRH4
SCHEMBL13658798 0.78 HRH3 (0.62) HRH3HRH4KDM4EALDH1A1POLB
SCHEMBL13628954 0.77 MAPT (0.48) KDM4EALDH1A1MAPTPKMHTT
SCHEMBL15986823 0.76 POLB (0.53) HRH3HRH4KDM4EALDH1A1MAPT
SCHEMBL16065280 0.73 HRH3 (0.40) HRH3
SCHEMBL13628538 0.70 ASIC3 (0.33) HRH4
SCHEMBL3658312 0.69 ADORA2A (0.44) HRH3KDM4EALDH1A1MAPTHTT
SCHEMBL15716814 0.68 LRRK2 (0.39) HRH3HRH4ALDH1A1
SCHEMBL13390779 0.67 ALDH1A1 (0.52) ALDH1A1MAPTKMT2A
SCHEMBL3436775 0.66 LRRK2 (0.40) HRH3HRH4KDM4EPKMKMT2A

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