SCHEMBL6743986

SCHEMBL6743986

C[N+]1(C)CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
MAPK1 P28482 2/20 0.64
CYP3A4 P08684 1/20 0.64
CHRNB2 P17787 1/20 0.64
NFKB1 P19838 1/20 0.64
CHRNA3 P32297 1/20 0.64
CHRNA7 P36544 1/20 0.64
CHRNA4 P43681 1/20 0.64
KMT2A Q03164 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 2/20 0.62
POLB P06746 2/20 0.62
APOBEC3A P31941 1/20 0.62
PMP22 Q01453 1/20 0.62
HIF1A Q16665 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
MAPT P10636 5/20 0.59
GFER P55789 4/20 0.59
ALDH1A1 P00352 3/20 0.59

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 SCHEMBL5350629 0.98 ALOX15 (0.62) ALOX15HSD17B10MAPK1CYP3A4CHRNB2
Hydrochloric Acid SCHEMBL5345900 0.96 ALOX15 (0.60) ALOX15HSD17B10MAPK1CYP3A4CHRNB2
SCHEMBL6748684 0.93 MAPT (0.58) ALOX15HSD17B10MAPK1CYP3A4CHRNB2
Hydrochloric Acid SCHEMBL5354549 0.91 MAPT (0.56) ALOX15HSD17B10MAPK1CYP3A4CHRNB2
Hydrochloric Acid SCHEMBL5391533 0.89 MAPT (0.59) ALOX15HSD17B10MAPK1CYP3A4CHRNB2
SCHEMBL6151460 0.87 ADRB1 (0.50) ALOX15HSD17B10MAPK1CYP3A4CHRNB2
SCHEMBL6744524 0.81 CHRNA10 (0.56) ALOX15HSD17B10MAPK1CYP3A4CHRNB2
Hydrochloric Acid SCHEMBL5350248 0.80 CHRNA10 (0.55) ALOX15HSD17B10MAPK1CYP3A4CHRNB2
SCHEMBL23347931 0.79 MAPT (0.77) ALOX15HSD17B10MAPK1KMT2ASMN1; SMN2
SCHEMBL6151120 0.79 MAPT (0.77) ALOX15HSD17B10MAPK1KMT2ASMN1; SMN2

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 3 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
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 disclosed