SCHEMBL7130820

SCHEMBL7130820

CCN(C)COc1cn(C(=O)c2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.49
ELANE P08246 4/20 0.45
HTR6 P50406 2/20 0.44
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1F P30939 1/20 0.43
HTR7 P34969 1/20 0.43
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
TSPO P30536 2/20 0.39
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
PLA2G4A P47712 1/20 0.36
LTB4R Q15722 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL6918827 0.87 HTR6 (0.44) ELANEHTR6HTR1AHTR1DHTR1B
SCHEMBL6820240 0.84 HTR6 (0.52) DYRK1AELANEHTR6HTR1AHTR1D
SCHEMBL7130815 0.78 ELANE (0.47) DYRK1AELANEHTR6HTR1AHTR1D
SCHEMBL6922117 0.76 ELANE (0.43) DYRK1AELANETSPONPSR1TSHR
SCHEMBL6972524 0.73 HTR6 (0.77) DYRK1AELANEHTR6HTR1AHTR1D
SCHEMBL7063772 0.72 HTR7 (0.45) DYRK1AHTR6HTR1AHTR1DHTR1B
SCHEMBL6820991 0.71 HTR6 (0.52) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL6817332 0.70 HTR6 (0.70) ELANEHTR6HTR1AHTR1DHTR1B
SCHEMBL6817355 0.69 HTR6 (0.52) DYRK1AHTR6HTR1AHTR1DHTR1B
SCHEMBL3557948 0.68 ALDH1A1 (0.44) HTR7KMT2AKDM4EALDH1A1HPGD

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 claimed