SCHEMBL6822016

SCHEMBL6822016

CN(C)CCOc1c(-c2ccccc2)n(Cc2ccccc2Br)c2ccc(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.39
HTR7 P34969 2/20 0.39
ESR1 P03372 1/20 0.39
ABCB1 P08183 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
DNM1 Q05193 3/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD1 P21728 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL7067775 0.90 UTS2R (0.42) UTS2RHTR7ESR1ABCB1CYP3A4
SCHEMBL6817279 0.84 UTS2R (0.42) UTS2RHTR7ESR1ABCB1CYP3A4
SCHEMBL6820268 0.80 UTS2R (0.42) UTS2RHTR7ESR1ABCB1CYP3A4
SCHEMBL6917789 0.78 MEN1 (0.35) ABCB1CYP3A4ALDH1A1DNM1MAPT
SCHEMBL3559402 0.77 HTR6 (0.39) HTR7ALDH1A1KDM4ELMNAMEN1
SCHEMBL3561464 0.77 ALDH1A1 (0.45) HTR7ALDH1A1KDM4ELMNAMAPT
SCHEMBL6917019 0.77 ESR1 (0.48) HTR7ESR1ALDH1A1KDM4EMAPT
SCHEMBL6820218 0.76 UTS2R (0.44) UTS2RHTR7ESR1ALDH1A1KDM4E
SCHEMBL3565558 0.76 HTR6 (0.46) HTR7ALDH1A1KDM4ELMNADRD2
SCHEMBL6820229 0.76 ALDH1A1 (0.43) HTR7ABCB1ALDH1A1KDM4ELMNA

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 1 patent. 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 disclosed