SCHEMBL7063772

SCHEMBL7063772

CN(C)CCOc1cn(C(=O)c2ccccc2Br)c2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.45
HTR6 P50406 3/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
IDO1 P14902 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
HTR1B P28222 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1F P30939 1/20 0.39
DYRK1A Q13627 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
BRPF1 P55201 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
HRH2 P25021 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
SCHEMBL6821042 0.90 KDM4E (0.45) HTR7HTR6KDM4EALDH1A1HTR1B
SCHEMBL6922481 0.89 HTR7 (0.49) HTR7HTR6KDM4EALDH1A1HTR1B
SCHEMBL6821035 0.89 HTR6 (0.52) HTR7HTR6HTR1BHTR1AHTR1D
SCHEMBL6820240 0.87 HTR6 (0.52) HTR7HTR6KDM4EALDH1A1LMNA
SCHEMBL6920050 0.85 HTR7 (0.45) HTR7HTR6KDM4EALDH1A1LMNA
SCHEMBL3557948 0.83 ALDH1A1 (0.44) HTR7KDM4EALDH1A1LMNAIDO1
SCHEMBL5767433 0.82 HTR6 (0.58) HTR7HTR6HTR1BHTR1AHTR1D
SCHEMBL6820288 0.80 HTR7 (0.43) HTR7KDM4EALDH1A1LMNATDP1
SCHEMBL6823917 0.79 HTR7 (0.43) HTR7KDM4EALDH1A1LMNATDP1
SCHEMBL6823561 0.78 MEN1 (0.42) HTR7KDM4EALDH1A1LMNATDP1

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