SCHEMBL7701522

SCHEMBL7701522

NOc1ccc(N)c(CCO)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
NR4A1 P22736 1/20 0.34
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 2/20 0.31
ADRA1A P35348 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
IDO1 P14902 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
KMT2A Q03164 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL19783801 0.83 CYP2D6 (0.51) CYP2D6SLC6A2SLC6A4SLC6A3ADRA1A
SCHEMBL30189619 0.83 CYP2D6 (0.51) CYP2D6SLC6A2SLC6A4SLC6A3ADRA1A
SCHEMBL22499932 0.80 MEN1 (0.53) MEN1NPC1KMT2AAPOBEC3G
SCHEMBL33767 0.75 PRKCI (0.38) MEN1KMT2A
SCHEMBL29378444 0.75 PRKCI (0.38) MEN1KMT2A
SCHEMBL2770653 0.75 CYP3A4 (0.44) MEN1KMT2A
SCHEMBL9645108 0.75 CYP4F2 (0.60) SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL7162451 0.74 THRB (0.41) MEN1KMT2A
Hydrochloric Acid SCHEMBL5200042 0.74 THRB (0.41) MEN1KMT2A
Bromide SCHEMBL18979874 0.74 PRKCI (0.37) MEN1KMT2A

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-6344063-B1 DYEING HUMAN HAIR L'OREAL (FR) 2002-02-05 US disclosed