SCHEMBL6920050

SCHEMBL6920050

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.45
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 7/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
UTS2R Q9UKP6 1/20 0.36
HTR1B P28222 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
BRPF1 P55201 1/20 0.35
HRH1 P35367 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR6 P50406 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
SCHEMBL6820288 0.90 HTR7 (0.43) HTR7KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL7063772 0.85 HTR7 (0.45) HTR7KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6823917 0.85 HTR7 (0.43) HTR7KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3555783 0.83 HTR7 (0.40) HTR7KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6922481 0.83 HTR7 (0.49) HTR7KDM4EALDH1A1SMN1; SMN2HTR1B
SCHEMBL6821042 0.80 KDM4E (0.45) HTR7KDM4EALDH1A1SMN1; SMN2UTS2R
SCHEMBL6821035 0.79 HTR6 (0.52) HTR7HTR1BHTR6
SCHEMBL6820963 0.78 KDM4E (0.46) HTR7KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6820274 0.78 HTR7 (0.39) HTR7KDM4EALDH1A1LMNATDP1
SCHEMBL6821104 0.76 ALDH1A1 (0.39) HTR7KDM4EALDH1A1LMNASMN1; SMN2

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