SCHEMBL6925862

SCHEMBL6925862

CN1CCN(Cc2cc3cc(OC4CCCC4)ccc3n2S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.50
HTR6 P50406 16/20 0.48
CYP2D6 P10635 4/20 0.48
CYP3A4 P08684 3/20 0.48
HTR7 P34969 1/20 0.40
ADRA1B P35368 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
SCHEMBL6826181 0.81 HTR6 (0.48) HRH3HTR6CYP2D6CYP3A4HTR7
SCHEMBL6829836 0.80 HTR6 (0.60) HTR6CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL6826441 0.80 HTR6 (0.59) HTR6CYP2D6CYP3A4
SCHEMBL6829345 0.79 HTR6 (0.62) HTR6CYP2D6CYP3A4
SCHEMBL6829311 0.74 HTR6 (0.52) HTR6CYP2D6CYP3A4
SCHEMBL6830687 0.70 HTR6 (0.57) HTR6CYP2D6CYP3A4
SCHEMBL4982592 0.70 HRH3 (0.66) HRH3CYP2D6CYP3A4
SCHEMBL6927091 0.69 HTR6 (0.62) HTR6CYP2D6CYP3A4
SCHEMBL6924345 0.68 HTR6 (0.59) HTR6CYP2D6CYP3A4
SCHEMBL1397955 0.67 HRH3 (1.00) HRH3CYP2D6

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