Epinephrine

Epinephrine

SCHEMBL8073609

CC(=O)Nc1ccc(O)cc1.CNC[C@H](O)c1ccc(O)c(O)c1

nearest known ligand 0.67

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Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3

The experimentally established mechanism targets of Epinephrine. 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
ADRB2 known ✓ P07550 6/20 0.67
ADRB3 known ✓ P13945 5/20 0.67
ADRB1 known ✓ P08588 4/20 0.67
ADRA2A known ✓ P08913 2/20 0.67
ADRA2B known ✓ P18089 2/20 0.67
ADRA2C known ✓ P18825 2/20 0.67
ADRA1D known ✓ P25100 2/20 0.67
ADRA1A known ✓ P35348 2/20 0.67
ADRA1B known ✓ P35368 2/20 0.67
TDP1 Q9NUW8 8/20 0.67
KDM4E B2RXH2 8/20 0.67
MAPT P10636 8/20 0.67
HSD17B10 Q99714 6/20 0.67
HIF1A Q16665 6/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
TSHR P16473 5/20 0.67
CYP1A2 P05177 5/20 0.67
ALDH1A1 P00352 4/20 0.67
CYP3A4 P08684 4/20 0.67

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
Phenylephrine SCHEMBL15918950 0.84 HIF1A (0.70) TDP1KDM4EMAPTADRB2HSD17B10
Racepinephrine SCHEMBL21248121 0.83 TDP1 (0.84) TDP1KDM4EMAPTADRB2HSD17B10
Racepinephrine SCHEMBL28584300 0.83 TDP1 (0.84) TDP1KDM4EMAPTADRB2HSD17B10
Epinephrine SCHEMBL21248119 0.83 TDP1 (0.84) TDP1KDM4EMAPTADRB2HSD17B10
SCHEMBL6318456 0.83 TDP1 (0.58) TDP1KDM4EMAPTADRB2HSD17B10
Racepinephrine SCHEMBL20493843 0.82 KDM4E (1.00) TDP1KDM4EMAPTADRB2HSD17B10
Racepinephrine SCHEMBL11631789 0.82 KDM4E (1.00) TDP1KDM4EMAPTADRB2HSD17B10
Racepinephrine SCHEMBL3815 0.82 KDM4E (1.00) TDP1KDM4EMAPTADRB2HSD17B10
L-Adrenaline SCHEMBL11647 0.82 KDM4E (1.00) TDP1KDM4EMAPTADRB2HSD17B10
Epinephrine SCHEMBL2837188 0.82 KDM4E (1.00) TDP1KDM4EMAPTADRB2HSD17B10

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-6090799-A ADMINISTERING OXANDROLONE BTG PHARMACEUTICALS CORP. (US) 2000-07-18 US disclosed