SCHEMBL27366104

SCHEMBL27366104

COc1cccc2cccc(CCN(C)C3CC3)c12

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.67
AOC3 Q16853 1/20 0.43
HTR6 P50406 2/20 0.43
ALDH1A1 P00352 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL31331990 1.00 HTR2A (0.67) HTR2AAOC3HTR6ALDH1A1SIGMAR1
SCHEMBL1965745 0.84 AOC3 (0.61) HTR2AAOC3ALDH1A1SIGMAR1CHRM2
SCHEMBL27365914 0.82 HTR2A (0.61) HTR2AAOC3HTR6
SCHEMBL31331965 0.82 HTR2A (0.61) HTR2AAOC3HTR6
SCHEMBL27366108 0.80 HTR2A (1.00) HTR2AHTR6KDM4E
SCHEMBL31396927 0.79 HTR6 (0.72) HTR2AHTR6MTNR1AMTNR1B
SCHEMBL27085284 0.79 HTR6 (0.72) HTR2AHTR6MTNR1AMTNR1B
SCHEMBL27366013 0.78 HTR2A (0.64) HTR2AAOC3HTR6SIGMAR1CHRM2
SCHEMBL31332123 0.77 HTR2A (0.65) HTR2AAOC3HTR6SIGMAR1CHRM2
SCHEMBL31332020 0.77 HTR2A (0.51) HTR2AAOC3HTR6SIGMAR1CHRM2

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