SCHEMBL6829316

SCHEMBL6829316

CCc1ccc2c(c1)cc(CN1CCN(C)CC1)n2S(=O)(=O)c1ccc(OC)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.51
CYP3A4 P08684 3/20 0.49
CYP2D6 P10635 3/20 0.49
ADRA2A P08913 2/20 0.49
ADRA2C P18825 2/20 0.49
CYP2C19 P33261 2/20 0.49
HTR2A P28223 1/20 0.49
CHRM1 P11229 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6830157 0.87 HTR6 (0.59) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL6829311 0.87 HTR6 (0.52) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL6829836 0.79 HTR6 (0.60) HTR6CYP3A4CYP2D6HTR2A
Hydrochloric Acid SCHEMBL6826441 0.78 HTR6 (0.59) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL6829699 0.74 HTR6 (0.60) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL950004 0.72 HTR6 (0.87) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL949626 0.72 HTR6 (0.54) HTR6CYP3A4CYP2D6ADRA2AADRA2C
Hydrochloric Acid SCHEMBL946634 0.71 HTR6 (0.85) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL3204103 0.70 HTR6 (0.73) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL947267 0.70 HTR6 (0.79) HTR6CYP3A4CYP2D6ADRA2AADRA2C

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-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 WO disclosed