Octopamine

Octopamine

SCHEMBL4282037

NCC(O)c1ccc(O)cc1.[PbH2]

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.95
HIF1A Q16665 3/20 0.95
NFKB1 P19838 3/20 0.95
TSHR P16473 2/20 0.95
HTR3A P46098 1/20 0.95
TDP1 Q9NUW8 6/20 0.91
KDM4E B2RXH2 5/20 0.91
APEX1 P27695 3/20 0.91
ALOX15 P16050 2/20 0.91
BLM P54132 6/20 0.57
MAPT P10636 4/20 0.57
RECQL P46063 3/20 0.57
LMNA P02545 3/20 0.57
HPGD P15428 2/20 0.57
MAPK1 P28482 2/20 0.57
ADRB2 P07550 2/20 0.57
ADRB1 P08588 2/20 0.57
ADRA2A P08913 2/20 0.57
ADRA2B P18089 2/20 0.57
ADRA2C P18825 2/20 0.57

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
Octopamine SCHEMBL1650462 0.98 TAAR1 (1.00) TAAR1HIF1ANFKB1TSHRHTR3A
Octopamine SCHEMBL3489184 0.98 TAAR1 (1.00) TAAR1HIF1ANFKB1TSHRHTR3A
Octopamine SCHEMBL22605 0.98 TAAR1 (1.00) TAAR1HIF1ANFKB1TSHRHTR3A
Octopamine SCHEMBL5458985 0.95 TAAR1 (0.95) TAAR1HIF1ANFKB1TSHRHTR3A
Octopamine SCHEMBL30782000 0.95 TDP1 (1.00) TAAR1HIF1ANFKB1TSHRHTR3A
Octopamine SCHEMBL1168914 0.95 TDP1 (1.00) TAAR1HIF1ANFKB1TSHRHTR3A
Octopamine SCHEMBL17688531 0.95 TAAR1 (0.95) TAAR1HIF1ANFKB1TSHRHTR3A
Octopamine SCHEMBL9125963 0.93 TAAR1 (0.91) TAAR1HIF1ANFKB1TSHRHTR3A
Octopamine SCHEMBL8419660 0.89 TAAR1 (0.83) TAAR1HIF1ANFKB1TSHRHTR3A
Octopamine SCHEMBL25250966 0.87 TAAR1 (0.80) TAAR1HIF1ANFKB1TSHRHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622269-B2 Methods of screening tyramine- and octopamine-expressing cells for compounds and compositions having potential insect control activity TYRATECH, INC. (US) 2009-11-24 US disclosed
EP-1737478-A4 COMPOSITIONS AND METHODS FOR CONTROLLING INSECTS RELATED TO THE OCTOPAMINE RECEPTOR TYRATECH LLC (US) 2008-09-03 EP disclosed
EP-1737478-A2 COMPOSITIONS AND METHODS FOR CONTROLLING INSECTS RELATED TO THE OCTOPAMINE RECEPTOR VANDERBILT UNIVERSITY (US) 2007-01-03 EP disclosed
WO-2005092016-A2 COMPOSITIONS AND METHODS FOR CONTROLLING INSECTS RELATED TO THE OCTOPAMINE RECEPTOR VANDERBILT UNIVERSITY (US) 2005-10-06 WO disclosed
US-20050214267-A1 Compositions and methods for controlling insects related to the octopamine receptor WILMINGTON TRUST, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2005-09-29 US disclosed