SCHEMBL6817341

SCHEMBL6817341

CN(C)CCOc1cn(Cc2ccccc2Br)c2c(Br)cc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.48
UTS2R Q9UKP6 1/20 0.47
DRD1 P21728 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HTR1B P28222 1/20 0.38
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HRH1 P35367 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL6821018 0.89 UTS2R (0.50) HTR7UTS2RDRD1DRD2DRD4
SCHEMBL6817310 0.88 HTR7 (0.46) HTR7UTS2RDRD1DRD2DRD4
SCHEMBL6817354 0.84 HTR7 (0.48) HTR7UTS2RDRD1DRD2DRD4
SCHEMBL6820722 0.84 UTS2R (0.52) HTR7UTS2RDRD1DRD2DRD4
SCHEMBL6820726 0.81 HTR7 (0.52) HTR7UTS2RDRD1DRD2DRD4
SCHEMBL6817351 0.78 UTS2R (0.50) HTR7UTS2RDRD1DRD2DRD4
SCHEMBL6817280 0.78 HTR7 (0.45) HTR7UTS2RDRD1DRD2DRD4
SCHEMBL6820977 0.78 HTR6 (0.53) HTR7UTS2RDRD2HTR1BHTR1A
SCHEMBL6823545 0.77 UTS2R (0.41) HTR7UTS2RDRD1DRD2DRD4
SCHEMBL3558434 0.75 HTR7 (0.45) HTR7UTS2RHTR1BKDM4ECYP2D6

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-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO claimed
WO-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed