SCHEMBL13628675

SCHEMBL13628675

CC(C)NOCCN(C)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 4/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
PPARG P37231 7/20 0.41
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC6A3 Q01959 3/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
ADRA2B P18089 2/20 0.40
SLC6A2 P23975 2/20 0.40
PPARA Q07869 2/20 0.40
GMNN O75496 1/20 0.40

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
SCHEMBL13628954 0.83 MAPT (0.48) MAPTALDH1A1KDM4EPKMHTT
SCHEMBL13628668 0.79 HRH3 (0.36)
SCHEMBL8129550 0.78 CYP2C19 (0.51) MAPTALDH1A1KDM4EPKMHTT
SCHEMBL13662531 0.75 CYP2C19 (0.49) MAPTALDH1A1KDM4EPKMHTT
SCHEMBL12788340 0.75 CYP2C19 (0.49) MAPTALDH1A1KDM4EPKMHTT
SCHEMBL17897232 0.73 CYP2D6 (0.50) MAPTALDH1A1KDM4EPKMHTT
SCHEMBL13628956 0.72 CYP2D6 (0.37) ALDH1A1KDM4EL3MBTL1KMT2ACYP2D6
SCHEMBL13674890 0.72 KMT2A (0.58) MAPTALDH1A1KDM4EPKMHTT
SCHEMBL434743 0.72 CYP2D6 (0.56) MAPTALDH1A1KDM4EPKMHTT
SCHEMBL4445537 0.72 CYP2D6 (0.72) MAPTALDH1A1KDM4EPKMHTT

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