SCHEMBL6820977

SCHEMBL6820977

COc1ccc2c(c1)c(OCCN(C)C)cn2Cc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.53
HTR7 P34969 2/20 0.45
UTS2R Q9UKP6 1/20 0.44
PLA2G2A P14555 5/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1E P28566 1/20 0.41
HTR1F P30939 1/20 0.41
DRD3 P35462 1/20 0.41
PTPN1 P18031 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL6817354 0.88 HTR7 (0.48) HTR6HTR7UTS2RDRD2HTR1B
SCHEMBL6817351 0.86 UTS2R (0.50) HTR6HTR7UTS2RDRD2
SCHEMBL6820726 0.86 HTR7 (0.52) HTR6HTR7UTS2RDRD2HTR1B
SCHEMBL6821057 0.85 HTR6 (0.69) HTR6PLA2G2A
SCHEMBL3256595 0.84 HTR6 (0.74) HTR6HTR7HTR1ADRD2HTR1D
SCHEMBL6820735 0.78 PLA2G2A (0.46) HTR6UTS2RPLA2G2AHTR2A
SCHEMBL6817341 0.78 HTR7 (0.48) HTR6HTR7UTS2RHTR1ADRD2
SCHEMBL3559586 0.77 HTR6 (0.56) HTR6HTR7HTR1ADRD2HTR1D
SCHEMBL6821035 0.77 HTR6 (0.52) HTR6HTR7PLA2G2AHTR1ADRD2
SCHEMBL6821018 0.76 UTS2R (0.50) HTR7UTS2RDRD2HTR1B

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