SCHEMBL6831378

SCHEMBL6831378

CCOc1ccc2c(c1)c(Br)c(CN1CCN(C)CC1)n2S(=O)(=O)c1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2D6 P10635 3/20 0.56
ADRA2A P08913 2/20 0.56
ADRA2C P18825 2/20 0.56
CYP2C19 P33261 2/20 0.56
HTR2A P28223 1/20 0.56

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
SCHEMBL6928279 0.83 HTR6 (0.53) HTR6CYP3A4CYP2D6
SCHEMBL5553487 0.81 HTR6 (0.83) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL6826804 0.76 HTR6 (0.61) HTR6CYP3A4CYP2D6ADRA2AADRA2C
Masupirdine SCHEMBL946320 0.72 HTR6 (1.00) HTR6CYP3A4CYP2D6ADRA2AADRA2C
Masupirdine SCHEMBL29646265 0.72 HTR6 (1.00) HTR6CYP3A4CYP2D6ADRA2AADRA2C
Masupirdine SCHEMBL29358531 0.72 HTR6 (1.00) HTR6CYP3A4CYP2D6ADRA2AADRA2C
Masupirdine SCHEMBL31732770 0.71 HTR6 (0.98) HTR6CYP3A4CYP2D6ADRA2AADRA2C
Masupirdine SCHEMBL20607627 0.71 HTR6 (0.98) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL6829699 0.70 HTR6 (0.60) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL5553534 0.70 HTR6 (1.00) 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