SCHEMBL6830687

SCHEMBL6830687

CN1CCN(Cc2cc3ccccc3n2S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.57
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
POLB P06746 1/20 0.48
FAAH O00519 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
SCHEMBL6829345 0.91 HTR6 (0.62) HTR6CYP3A4CYP2D6
SCHEMBL6924345 0.89 HTR6 (0.59) HTR6CYP3A4CYP2D6
SCHEMBL6829699 0.83 HTR6 (0.60) HTR6CYP3A4CYP2D6
SCHEMBL549089 0.78 CA12 (0.51) HTR6
SCHEMBL6830157 0.78 HTR6 (0.59) HTR6CYP3A4CYP2D6
SCHEMBL6867245 0.78 CA12 (0.54) HTR6
SCHEMBL6829836 0.78 HTR6 (0.60) HTR6CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6826441 0.77 HTR6 (0.59) HTR6CYP3A4CYP2D6
SCHEMBL1354844 0.77 HTR6 (0.53) HTR6CYP3A4CYP2D6
SCHEMBL6826181 0.76 HTR6 (0.48) HTR6CYP3A4CYP2D6

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