SCHEMBL6826181

SCHEMBL6826181

CN1CCN(Cc2cc3cc(OCc4ccccc4)ccc3n2S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
HRH3 Q9Y5N1 1/20 0.43
HTR7 P34969 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SRD5A2 P31213 1/20 0.42

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 0.83 HTR6 (0.62) HTR6CYP3A4CYP2D6
SCHEMBL6925862 0.81 HRH3 (0.50) HTR6CYP3A4CYP2D6HRH3HTR7
SCHEMBL6829836 0.80 HTR6 (0.60) HTR6CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6826441 0.79 HTR6 (0.59) HTR6CYP3A4CYP2D6
SCHEMBL6830687 0.76 HTR6 (0.57) HTR6CYP3A4CYP2D6
SCHEMBL2430436 0.76 PPARG (0.49) HTR6NPC1RAB9AMEN1KMT2A
SCHEMBL6829311 0.76 HTR6 (0.52) HTR6CYP3A4CYP2D6
SCHEMBL2433007 0.74 MEN1 (0.64) HTR6NPC1RAB9AHRH3MEN1
SCHEMBL14783738 0.71 NPC1 (0.78) NPC1RAB9ATP53HRH3HTR7
SCHEMBL6924345 0.71 HTR6 (0.59) 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 claimed