SCHEMBL10380299

SCHEMBL10380299

NCC(N)(C(O)c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.46
TAAR1 Q96RJ0 3/20 0.44
HTR2A P28223 2/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 2/20 0.44
HRH1 P35367 2/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL9583940 0.79 AOC3 (0.52) AOC3TAAR1HTR2ASLC6A2SLC6A4
SCHEMBL15156585 0.77 TAAR1 (0.48) TAAR1HTR2ASLC6A4SLC6A3HRH1
SCHEMBL31322259 0.77 AOC3 (0.44) AOC3TAAR1HTR2ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1662095 0.76 TAAR1 (0.46) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL5463176 0.75 AOC3 (0.50) AOC3LMNAKDM4EADRA2AADRA2C
SCHEMBL7525369 0.74 TAAR1 (0.50) AOC3TAAR1HTR2ASLC6A2SLC6A4
SCHEMBL11719316 0.74 AOC3 (0.46) AOC3TAAR1HTR2ASLC6A2SLC6A4
SCHEMBL411887 0.73 AOC3 (0.59) AOC3SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL26025745 0.73 AOC3 (0.59) AOC3SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL9577935 0.71 AOC3 (0.57) AOC3SLC6A2SLC6A4SLC6A3LMNA

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-1990002339-A1 STABLE INDICATOR SOLUTIONS FOR DETECTION OF PEROXIDATIC ACTIVITY CETUS CORPORATION (US) 1990-03-08 WO disclosed