Deoxiepinephrine

Deoxiepinephrine

SCHEMBL14918907

CNCCc1ccc(O)c(O)c1.NCCc1ccc(O)c(O)c1

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1

The experimentally established mechanism targets of Deoxiepinephrine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.83
MAPK1 P28482 4/20 0.83
HIF1A Q16665 3/20 0.83
HSD17B10 Q99714 3/20 0.83
ALOX15 P16050 3/20 0.83
TSHR P16473 3/20 0.83
TP53 P04637 2/20 0.83
THPO P40225 2/20 0.83
CYP1A2 P05177 2/20 0.83
NFKB1 P19838 2/20 0.83
LMNA P02545 5/20 0.80
KDM4E B2RXH2 4/20 0.80
ALDH1A1 P00352 3/20 0.80
BLM P54132 3/20 0.80
GFER P55789 2/20 0.80
PMP22 Q01453 2/20 0.80
HPGD P15428 2/20 0.80
GMNN O75496 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
NPSR1 Q6W5P4 1/20 0.80

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
Deoxiepinephrine SCHEMBL67772 0.91 MAPT (1.00) MAPTMAPK1HIF1AHSD17B10ALOX15
Deoxiepinephrine SCHEMBL29379200 0.91 MAPT (1.00) MAPTMAPK1HIF1AHSD17B10ALOX15
Deoxiepinephrine SCHEMBL31364234 0.89 MAPT (1.00) MAPTMAPK1HIF1AHSD17B10ALOX15
Deoxiepinephrine SCHEMBL7438678 0.89 MAPT (0.96) MAPTMAPK1HIF1AHSD17B10ALOX15
Deoxiepinephrine SCHEMBL1320882 0.89 MAPT (1.00) MAPTMAPK1HIF1AHSD17B10ALOX15
Deoxiepinephrine SCHEMBL6471632 0.87 MAPT (0.92) MAPTMAPK1HIF1AHSD17B10ALOX15
Dopamine SCHEMBL27987867 0.85 MAPK1 (0.91) MAPTMAPK1HIF1AHSD17B10ALOX15
Dopamine SCHEMBL18159501 0.85 KDM4E (1.00) MAPTMAPK1HIF1AHSD17B10ALOX15
Dopamine SCHEMBL9166387 0.85 KDM4E (1.00) MAPTMAPK1HIF1AHSD17B10ALOX15
Dopamine SCHEMBL8505 0.85 KDM4E (1.00) MAPTMAPK1HIF1AHSD17B10ALOX15

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
WO-2013067519-A2 INSECT AND TICK G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME PURDUE RESEARCH FOUNDATION (US) 2013-05-10 WO disclosed