SCHEMBL6820722

SCHEMBL6820722

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.52
HTR7 P34969 3/20 0.45
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CSF1R P07333 1/20 0.36
MAPT P10636 1/20 0.36
HTR1B P28222 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 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 0.93 UTS2R (0.50) UTS2RHTR7DRD2DRD1DRD4
SCHEMBL6820760 0.86 DRD2 (0.43) HTR7DRD2DRD1DRD4DRD5
SCHEMBL6817351 0.84 UTS2R (0.50) UTS2RHTR7DRD2DRD1DRD4
SCHEMBL6817341 0.84 HTR7 (0.48) UTS2RHTR7DRD2DRD1DRD4
SCHEMBL6817280 0.82 HTR7 (0.45) UTS2RHTR7DRD2DRD1DRD4
SCHEMBL6820726 0.79 HTR7 (0.52) UTS2RHTR7DRD2DRD1DRD4
SCHEMBL6820693 0.78 UTS2R (0.46) UTS2RHTR7TAAR1CSF1RMAPT
SCHEMBL6817354 0.78 HTR7 (0.48) UTS2RHTR7DRD2DRD1DRD4
SCHEMBL6823917 0.77 HTR7 (0.43) UTS2RHTR7CSF1RKDM4EALDH1A1
SCHEMBL3557838 0.77 HTR7 (0.43) UTS2RHTR7CSF1RKDM4EALDH1A1

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