SCHEMBL6820288

SCHEMBL6820288

CN(C)CCOc1cn(C(=O)c2ccccc2Br)c2c(Br)cc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
KDM4E B2RXH2 9/20 0.43
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
UTS2R Q9UKP6 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CSF1R P07333 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 1/20 0.34
HTR1B P28222 1/20 0.34

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
SCHEMBL6823917 0.93 HTR7 (0.43) HTR7KDM4EALDH1A1SMN1; SMN2UTS2R
SCHEMBL6920050 0.90 HTR7 (0.45) HTR7KDM4EALDH1A1SMN1; SMN2UTS2R
SCHEMBL6820963 0.89 KDM4E (0.46) HTR7KDM4EALDH1A1SMN1; SMN2UTS2R
SCHEMBL6821042 0.86 KDM4E (0.45) HTR7KDM4EALDH1A1SMN1; SMN2UTS2R
SCHEMBL3561489 0.84 KDM4E (0.46) HTR7KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL6922481 0.81 HTR7 (0.49) HTR7KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL7063772 0.80 HTR7 (0.45) HTR7KDM4EALDH1A1SMN1; SMN2UTS2R
SCHEMBL6821035 0.77 HTR6 (0.52) HTR7MEN1KMT2AHTR1B
SCHEMBL6820281 0.77 KDM4E (0.38) HTR7KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL6821018 0.76 UTS2R (0.50) HTR7KDM4EALDH1A1SMN1; SMN2UTS2R

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