SCHEMBL27366100

SCHEMBL27366100

COc1cccc2cccc(CCN(C)C(C)C)c12

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.65
AOC3 Q16853 1/20 0.45
HTR6 P50406 3/20 0.45
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
BCHE P06276 1/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL31332123 1.00 HTR2A (0.65) HTR2AAOC3HTR6HTR2CHTR2B
SCHEMBL27366601 0.87 HTR2A (0.48) HTR2AAOC3HTR6KDM4EGAA
SCHEMBL31331965 0.84 HTR2A (0.61) HTR2AAOC3HTR6
SCHEMBL27365914 0.84 HTR2A (0.61) HTR2AAOC3HTR6
SCHEMBL27366013 0.81 HTR2A (0.64) HTR2AAOC3HTR6HTR2CHTR2B
SCHEMBL27366016 0.79 HTR2A (0.51) HTR2AAOC3HTR6SIGMAR1BCHE
SCHEMBL31332020 0.79 HTR2A (0.51) HTR2AAOC3HTR6SIGMAR1BCHE
SCHEMBL27366009 0.79 BCHE (0.48) HTR2AAOC3HTR6HTR2BSIGMAR1
SCHEMBL27366102 0.79 HTR2A (1.00) HTR2AHTR6HTR2CHTR2BKDM4E
SCHEMBL20970943 0.78 HTR6 (0.76) HTR2AHTR6HTR2CHTR2B

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