SCHEMBL6829313

SCHEMBL6829313

COc1ccc(S(=O)(=O)n2c(C(=O)N3CCN(C)CC3)cc3ccccc32)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
AVPR1B P47901 2/20 0.47
HTR6 P50406 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
ADRA2A P08913 2/20 0.43
CYP2D6 P10635 2/20 0.43
ADRA2C P18825 2/20 0.43
HTR2A P28223 1/20 0.43
HRH4 Q9H3N8 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 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
SCHEMBL6829943 0.88 HTR6 (0.46) AVPR1BHTR6ALDH1A1HPGDCYP3A4
SCHEMBL6826756 0.86 DRD2 (0.54) DRD2DRD3HTR6ALDH1A1HPGD
SCHEMBL6831430 0.81 SLC2A1 (0.55) DRD2DRD3HTR6ALDH1A1HPGD
SCHEMBL6830157 0.79 HTR6 (0.59) HTR6CYP3A4CYP2C19ADRA2ACYP2D6
SCHEMBL6829317 0.79 HTR6 (0.49) HTR6ALDH1A1HPGDKMT2AKDM4E
SCHEMBL6829881 0.79 SLC2A1 (0.56) HTR6ALDH1A1HPGDHRH4TSHR
SCHEMBL6830116 0.79 KDM4E (0.51) HTR6ALDH1A1HPGDKMT2AKDM4E
SCHEMBL946638 0.78 HTR6 (0.55) HTR6ALDH1A1HPGDKMT2AKDM4E
SCHEMBL6829294 0.76 HTR6 (0.50) HTR6KMT2AMEN1CYP3A4CYP2C19
SCHEMBL6826373 0.75 HRH3 (0.58) HTR6ALDH1A1HPGDKMT2AKDM4E

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