SCHEMBL6829301

SCHEMBL6829301

CN1CCN(C(=O)c2cc3ccccc3n2S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 4/20 0.60
NOD1 Q9Y239 4/20 0.60
ALOX5 P09917 1/20 0.53
HRH3 Q9Y5N1 1/20 0.49
SLC2A1 P11166 1/20 0.48
HTR6 P50406 4/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CCR2 P41597 1/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL6829881 0.91 SLC2A1 (0.56) NOD2NOD1ALOX5SLC2A1HTR6
SCHEMBL6826756 0.87 DRD2 (0.54) NOD2NOD1ALOX5SLC2A1HTR6
SCHEMBL6921864 0.87 HRH3 (0.51) NOD2NOD1ALOX5HRH3SLC2A1
SCHEMBL6924887 0.87 ALOX5 (0.52) NOD2NOD1ALOX5SLC2A1HTR6
SCHEMBL6826373 0.84 HRH3 (0.58) NOD2NOD1HRH3SLC2A1HTR6
SCHEMBL6829377 0.84 HRH3 (0.53) NOD2NOD1HRH3SLC2A1HTR6
SCHEMBL6829439 0.83 HRH3 (0.49) NOD2NOD1ALOX5HRH3SLC2A1
SCHEMBL6829140 0.82 HRH3 (0.55) NOD2NOD1HRH3SLC2A1CYP3A4
SCHEMBL6829943 0.80 HTR6 (0.46) ALOX5SLC2A1HTR6CYP3A4CYP2D6
SCHEMBL10259849 0.78 GAA (0.59) ALOX5SLC2A1GAALMNA

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 2 patents. 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
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