SCHEMBL6746574

SCHEMBL6746574

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
RAD52 P43351 1/20 0.55
CHRNA10 Q9GZZ6 10/20 0.45
CHRNA9 Q9UGM1 10/20 0.45
CHRNA7 P36544 8/20 0.45
LGMN Q99538 1/20 0.37
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
PTK2B Q14289 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
S100B P04271 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34

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 SCHEMBL5345795 0.99 GAA (0.53) GAARAD52CHRNA10CHRNA9CHRNA7
SCHEMBL6746050 0.95 GAA (0.50) GAARAD52CHRNA10CHRNA9CHRNA7
Hydrochloric Acid SCHEMBL5362799 0.94 GAA (0.49) GAARAD52CHRNA10CHRNA9CHRNA7
SCHEMBL14559154 0.93 GAA (0.55) GAARAD52CHRNA10CHRNA9CHRNA7
Hydrochloric Acid SCHEMBL5346509 0.92 GAA (0.54) GAARAD52CHRNA10CHRNA9CHRNA7
SCHEMBL6748617 0.88 GAA (0.50) GAARAD52CHRNA10CHRNA9CHRNA7
Hydrochloric Acid SCHEMBL5397681 0.87 GAA (0.49) GAARAD52CHRNA10CHRNA9CHRNA7
SCHEMBL6746520 0.84 GAA (0.54) GAARAD52CHRNA10CHRNA9CHRNA7
Hydrochloric Acid SCHEMBL5349256 0.83 GAA (0.52) GAARAD52CHRNA10CHRNA9CHRNA7
SCHEMBL6745286 0.82 CHRNA10 (0.54) 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