SCHEMBL6829311

SCHEMBL6829311

CCc1ccc2c(c1)cc(CN1CCN(C)CC1)n2S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.52
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2A P28223 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL6829836 0.91 HTR6 (0.60) HTR6CYP3A4CYP2D6HTR2APPARG
Hydrochloric Acid SCHEMBL6826441 0.90 HTR6 (0.59) HTR6CYP3A4CYP2D6HTR2APPARG
SCHEMBL6829316 0.87 HTR6 (0.51) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL6927091 0.86 HTR6 (0.62) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL3200826 0.76 HTR6 (0.77) HTR6CYP3A4CYP2D6POLB
SCHEMBL6826181 0.76 HTR6 (0.48) HTR6CYP3A4CYP2D6
SCHEMBL6925862 0.74 HRH3 (0.50) HTR6CYP3A4CYP2D6
SCHEMBL6830687 0.74 HTR6 (0.57) HTR6CYP3A4CYP2D6POLB
SCHEMBL6829345 0.72 HTR6 (0.62) HTR6CYP3A4CYP2D6
SCHEMBL6830157 0.72 HTR6 (0.59) HTR6CYP3A4CYP2D6HTR2A

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 claimed