SCHEMBL30183060

SCHEMBL30183060

CCCN(O)CCc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.69
HTR1A P08908 5/20 0.66
HTR6 P50406 5/20 0.66
HTR2C P28335 4/20 0.65
HTR2B P41595 3/20 0.65
SLC6A4 P31645 2/20 0.57
ADRA2A P08913 2/20 0.56
ADRA2B P18089 2/20 0.56
ADRA2C P18825 2/20 0.56
ADRA1A P35348 2/20 0.56
HRH1 P35367 2/20 0.56
ADRA1B P35368 2/20 0.56
HTR1B P28222 2/20 0.56
HTR7 P34969 2/20 0.56
CDK4 P11802 2/20 0.56
CCND1 P24385 2/20 0.56
MAOA P21397 1/20 0.56
ADRA1D P25100 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56

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
SCHEMBL29017882 0.89 HTR1A (0.72) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL1118996 0.84 HTR2A (0.88) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL23042909 0.83 HTR2A (0.71) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL14950623 0.83 HTR1A (0.76) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL6933897 0.82 HTR2A (0.70) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL22027268 0.82 HTR2A (1.00) HTR2AHTR1AHTR6HTR2CHTR2B
Iodide SCHEMBL30366641 0.82 HTR2A (0.69) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL91128 0.80 HTR2A (0.72) HTR2AHTR1AHTR6HTR2CHTR2B
SCHEMBL29414676 0.80 HTR2A (0.72) HTR2AHTR1AHTR6HTR2CHTR2B
Diethyltryptamine SCHEMBL517713 0.80 HTR1A (1.00) HTR2AHTR1AHTR6HTR2CHTR2B

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