SCHEMBL30183299

SCHEMBL30183299

C=CCN(O)CCc1c[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.74
HTR1A P08908 8/20 0.74
HTR2C P28335 8/20 0.74
HTR6 P50406 8/20 0.74
HTR2B P41595 7/20 0.74
ADRA2A P08913 6/20 0.74
ADRA2B P18089 6/20 0.74
ADRA2C P18825 6/20 0.74
ADRA1A P35348 6/20 0.74
HRH1 P35367 6/20 0.74
SLC6A4 P31645 6/20 0.74
HTR1D P28221 6/20 0.74
ADRA1B P35368 5/20 0.74
HTR1E P28566 5/20 0.74
DRD3 P35462 5/20 0.74
OPRK1 P41145 5/20 0.74
SLC6A3 Q01959 5/20 0.74
SIGMAR1 Q99720 5/20 0.74
SLC6A2 P23975 4/20 0.74
ALDH1A1 P00352 1/20 0.62

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
SCHEMBL7134010 0.85 HTR2A (1.00) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL23042907 0.83 HTR2A (0.74) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL29017882 0.81 HTR1A (0.72) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL24243748 0.81 HTR1A (0.84) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL31498037 0.81 HTR1A (0.84) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL6933897 0.80 HTR2A (0.70) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL24243757 0.80 HTR1A (0.69) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL24243770 0.80 HTR2A (0.82) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL31498058 0.80 HTR2A (0.82) HTR2AHTR1AHTR2CHTR6HTR2B
SCHEMBL30183180 0.80 HTR1A (0.69) HTR2AHTR1AHTR2CHTR6HTR2B

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-2023283386-A2 SAFER PSYCHOACTIVE COMPOSITIONS ARCADIA MEDICINE, INC. (US) 2023-01-12 WO disclosed