SCHEMBL27366592

SCHEMBL27366592

CCCN(CCC)CCc1cccc2cccc(OC)c12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.49
HTR1A P08908 2/20 0.47
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44
HTR5A P47898 1/20 0.44
AOC3 Q16853 1/20 0.43

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
SCHEMBL31332092 1.00 BCHE (0.49) BCHEHTR1AHTR1DHTR1BHTR2A
SCHEMBL27366009 0.89 BCHE (0.48) BCHEHTR1AHTR1DHTR1BHTR2A
SCHEMBL27366016 0.87 HTR2A (0.51) BCHEHTR1DHTR1BHTR2AAOC3
SCHEMBL31332020 0.87 HTR2A (0.51) BCHEHTR1DHTR1BHTR2AAOC3
SCHEMBL8974349 0.84 ALOX5 (0.47) HTR2A
SCHEMBL31331965 0.83 HTR2A (0.61) HTR1AHTR2AHTR7AOC3
SCHEMBL27365914 0.83 HTR2A (0.61) HTR1AHTR2AHTR7AOC3
SCHEMBL27366012 0.82 BCHE (0.37) BCHEHTR1AHTR2A
SCHEMBL27366013 0.82 HTR2A (0.64) BCHEHTR2AHTR2BAOC3
SCHEMBL27366601 0.79 HTR2A (0.48) BCHEHTR2AAOC3

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-2023230649-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-12-07 WO disclosed