SCHEMBL5267699

SCHEMBL5267699

COc1cc(C)c(OC)c(CC(C)N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.54

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
SCHEMBL397761 0.83 HTR2A (0.63) HTR2A
SCHEMBL397760 0.83 HTR2A (0.63) HTR2A
SCHEMBL27133821 0.83 TAAR1 (0.57) HTR2A
SCHEMBL2560760 0.83 HTR2A (0.54) HTR2A
SCHEMBL2560674 0.81 HTR2A (0.53) HTR2A
SCHEMBL2564900 0.81 HTR2A (0.53) HTR2A
SCHEMBL2560786 0.81 HTR2A (0.53) HTR2A
SCHEMBL14655631 0.80 HTR2A (0.51) HTR2A
SCHEMBL14655633 0.80 HTR2A (0.51) HTR2A
SCHEMBL2562363 0.79 HTR2A (0.50) HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868593-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE Hythiam, Inc. (US) 2007-12-26 EP disclosed
WO-2006110642-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE HYTHIAM, INC. (US) 2006-10-19 WO disclosed