SCHEMBL6746050

SCHEMBL6746050

CC[N+]1(CCO)CCCN(c2ccc(N)c(C)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
RAD52 P43351 1/20 0.50
CHRNA10 Q9GZZ6 10/20 0.41
CHRNA9 Q9UGM1 10/20 0.41
CHRNA7 P36544 8/20 0.41
S100B P04271 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IP6K1 Q92551 1/20 0.36
LGMN Q99538 1/20 0.34
THRB P10828 1/20 0.33

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
Hydrochloric Acid SCHEMBL5362799 0.99 GAA (0.49) GAARAD52CHRNA10CHRNA9CHRNA7
SCHEMBL6746574 0.95 GAA (0.55) GAARAD52CHRNA10CHRNA9CHRNA7
Hydrochloric Acid SCHEMBL5345795 0.94 GAA (0.53) GAARAD52CHRNA10CHRNA9CHRNA7
SCHEMBL6748617 0.94 GAA (0.50) GAARAD52CHRNA10CHRNA9CHRNA7
Hydrochloric Acid SCHEMBL5397681 0.93 GAA (0.49) GAARAD52CHRNA10CHRNA9CHRNA7
SCHEMBL14559154 0.89 GAA (0.55) GAARAD52CHRNA10CHRNA9CHRNA7
Hydrochloric Acid SCHEMBL5346509 0.87 GAA (0.54) GAARAD52CHRNA10CHRNA9CHRNA7
SCHEMBL6742112 0.84 CHRNA10 (0.49) GAARAD52CHRNA10CHRNA9CHRNA7
SCHEMBL6746547 0.83 GAA (0.49) GAARAD52CHRNA10CHRNA9S100B
Hydrochloric Acid SCHEMBL5352676 0.83 CHRNA10 (0.48) GAARAD52CHRNA10CHRNA9CHRNA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462091-A1 Composition for dyeing of keratinic fibers comprising a cationic derivative of p-phenylenediamine substituted by a diazacyclohexane or a diazacyloheptane L'OREAL (FR) 2004-09-29 EP claimed
US-7186277-B2 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring L'OREAL SA (FR) 2007-03-06 US disclosed