SCHEMBL6829294

SCHEMBL6829294

CCc1ccc2c(c1)cc(C(=O)N1CCN(C)CC1)n2S(=O)(=O)c1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.50
SLC2A1 P11166 1/20 0.44
ACLY P53396 2/20 0.44
CHRM1 P11229 1/20 0.43
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2A P28223 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6829943 0.87 HTR6 (0.46) HTR6SLC2A1ACLYCYP3A4CYP2D6
SCHEMBL6826389 0.84 LMNA (0.47) HTR6SLC2A1ACLYHRH4
SCHEMBL6826365 0.77 SLC2A1 (0.57) HTR6SLC2A1ACLYMEN1KMT2A
SCHEMBL6829313 0.76 DRD2 (0.48) HTR6ACLYCYP3A4ADRA2ACYP2D6
SCHEMBL6826421 0.72 SLC2A1 (0.55) SLC2A1KMT2A
SCHEMBL6829881 0.71 SLC2A1 (0.56) HTR6SLC2A1HRH4
SCHEMBL6826439 0.71 LMNA (0.50) SLC2A1ACLYCYP2C19HRH4
SCHEMBL6826410 0.70 SLC2A1 (0.55) HTR6SLC2A1ACLYCHRM1CYP3A4
SCHEMBL6831430 0.70 SLC2A1 (0.55) HTR6SLC2A1HRH4MEN1KMT2A
SCHEMBL6826574 0.69 HTR6 (0.53) HTR6CYP3A4CYP2D6HRH4KMT2A

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