SCHEMBL6829377

SCHEMBL6829377

CC(C)c1ccc2c(c1)cc(C(=O)N1CCN(C)CC1)n2S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
SLC2A1 P11166 1/20 0.45
HTR6 P50406 4/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
GPR183 P32249 1/20 0.44
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ACLY P53396 1/20 0.39

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
SCHEMBL6925689 0.94 SLC2A1 (0.48) HRH3ALDH1A1GAATSHRSLC2A1
SCHEMBL6826410 0.90 SLC2A1 (0.55) HRH3ALDH1A1GAATSHRSLC2A1
SCHEMBL6921864 0.87 HRH3 (0.51) HRH3GAASLC2A1HTR6GPR183
SCHEMBL6924887 0.85 ALOX5 (0.52) ALDH1A1GAATSHRSLC2A1HTR6
SCHEMBL7068535 0.84 HTR6 (0.54) HRH3ALDH1A1TSHRSLC2A1HTR6
SCHEMBL6829301 0.84 NOD2 (0.60) HRH3GAASLC2A1HTR6CYP3A4
SCHEMBL6826373 0.84 HRH3 (0.58) HRH3ALDH1A1TSHRSLC2A1HTR6
SCHEMBL6924163 0.83 SLC2A1 (0.43) HRH3ALDH1A1GAATSHRSLC2A1
SCHEMBL6829439 0.83 HRH3 (0.49) HRH3ALDH1A1GAASLC2A1HTR6
SCHEMBL6829119 0.83 HTR6 (0.45) HRH3ALDH1A1GAATSHRSLC2A1

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