L-Adrenaline

L-Adrenaline

SCHEMBL20608410

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3

The experimentally established mechanism targets of L-Adrenaline. 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 8/20 1.00
ADRB1 known ✓ P08588 6/20 0.79
ADRB3 known ✓ P13945 4/20 0.79
ADRA2A known ✓ P08913 3/20 0.79
ADRA2B known ✓ P18089 3/20 0.79
ADRA2C known ✓ P18825 3/20 0.79
ADRA1D known ✓ P25100 3/20 0.79
ADRA1A known ✓ P35348 2/20 0.79
ADRA1B known ✓ P35368 2/20 0.79
KDM4E B2RXH2 10/20 1.00
TDP1 Q9NUW8 9/20 1.00
MAPT P10636 9/20 1.00
HSD17B10 Q99714 7/20 1.00
BLM P54132 7/20 1.00
TSHR P16473 6/20 1.00
HIF1A Q16665 5/20 1.00
CYP1A2 P05177 4/20 1.00
NFKB1 P19838 4/20 1.00
GAA P10253 3/20 1.00
RXFP1 Q9HBX9 3/20 1.00

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
Racepinephrine SCHEMBL29587492 1.00 KDM4E (1.00) KDM4ETDP1MAPTADRB2HSD17B10
Epinephrine SCHEMBL29457688 1.00 KDM4E (1.00) KDM4ETDP1MAPTADRB2HSD17B10
Epinephrine SCHEMBL27968525 1.00 KDM4E (1.00) KDM4ETDP1MAPTADRB2HSD17B10
Racepinephrine SCHEMBL40742 1.00 KDM4E (1.00) KDM4ETDP1MAPTADRB2HSD17B10
Racepinephrine SCHEMBL4406973 1.00 KDM4E (1.00) KDM4ETDP1MAPTADRB2HSD17B10
L-Adrenaline SCHEMBL26986346 1.00 KDM4E (1.00) KDM4ETDP1MAPTADRB2HSD17B10
Epinephrine SCHEMBL40741 1.00 KDM4E (1.00) KDM4ETDP1MAPTADRB2HSD17B10
Epinephrine SCHEMBL28412215 0.98 KDM4E (0.97) KDM4ETDP1MAPTADRB2HSD17B10
Racepinephrine SCHEMBL4066533 0.98 KDM4E (0.97) KDM4ETDP1MAPTADRB2HSD17B10
Epinephrine SCHEMBL7394380 0.91 KDM4E (0.83) KDM4ETDP1MAPTADRB2HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380703-A Refining method of adrenaline 蚌埠丰原医药科技发展有限公司 2022-04-22 CN disclosed
US-20200085765-A1 SAFER AND MORE EFFECTIVE METHODS OF TRANSMUCOSAL, INCLUDING INTRANASAL, DELIVERY FOR RAISING BLOOD PRESSURE AND STIMULATING THE BODY TRUIST BANK, AS ADMINISTRATIVE AGENT 2020-03-19 US disclosed
US-20200069582-A1 INHALABLE HEMODYNAMIC AGENTS AND METHODS OF USING THE SAME TRUIST BANK, AS ADMINISTRATIVE AGENT 2020-03-05 US disclosed
US-20190008759-A1 SAFER AND MORE EFFECTIVE METHODS OF TRANSMUCOSAL DELIVERY FOR RAISING BLOOD PRESSURE AND STIMULATING THE BODY TRUIST BANK, AS ADMINISTRATIVE AGENT 2019-01-10 US disclosed