SCHEMBL6821022

SCHEMBL6821022

Cc1c(OCCN(C)C)c2cc(Br)cc(Br)c2n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
HTR7 P34969 1/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 1/20 0.39
RAD52 P43351 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LTA4H P09960 1/20 0.38
HTR6 P50406 1/20 0.38
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6820713 0.90 TDP1 (0.41) TDP1HTR7KMT2AMAPTMEN1
SCHEMBL6823545 0.88 UTS2R (0.41) HTR7KMT2AMAPTMEN1ALDH1A1
SCHEMBL6821006 0.83 TDP1 (0.52) TDP1KMT2AMAPTMEN1GAA
SCHEMBL6820282 0.81 TDP1 (0.42) TDP1KMT2AMAPTMEN1GAA
SCHEMBL7154224 0.78 ESR1 (0.37) TDP1HTR7MAPTGAAALDH1A1
SCHEMBL3556559 0.78 HTR6 (0.45) HTR7KMT2AMEN1ALDH1A1HTR6
SCHEMBL6817336 0.78 ALDH1A1 (0.41) TDP1HTR7KMT2AMAPTMEN1
SCHEMBL6817497 0.77 TDP1 (0.52) TDP1KMT2AMAPTMEN1GAA
SCHEMBL6817310 0.76 HTR7 (0.46) HTR7GAAALDH1A1LTA4HHTR6
SCHEMBL6817320 0.75 TDP1 (0.47) TDP1KMT2AMAPTMEN1GAA

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