SCHEMBL6817280

SCHEMBL6817280

CN(C)CCOc1cn(Cc2ccccc2)c2c(Br)cc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
CSF1R P07333 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
HTR6 P50406 2/20 0.39
MAPT P10636 1/20 0.38
HTR1B P28222 1/20 0.38
LTA4H P09960 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL6817310 0.90 HTR7 (0.46) HTR7SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL6821018 0.89 UTS2R (0.50) HTR7SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL6820760 0.89 DRD2 (0.43) HTR7SMN1; SMN2ALDH1A1KDM4EDRD2
SCHEMBL6820722 0.82 UTS2R (0.52) HTR7SMN1; SMN2ALDH1A1KDM4EDRD2
SCHEMBL6821065 0.81 HTR6 (0.50) SMN1; SMN2GAAALDH1A1KDM4EDRD2
SCHEMBL3936199 0.79 HTR6 (0.43) HTR7SMN1; SMN2ALDH1A1KDM4EDRD2
SCHEMBL6820963 0.79 KDM4E (0.46) HTR7SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL6817307 0.78 HTR6 (0.47) GAAALDH1A1KDM4EDRD2DRD1
SCHEMBL6817341 0.78 HTR7 (0.48) HTR7ALDH1A1KDM4EDRD2DRD1
SCHEMBL6820226 0.77 HTR6 (0.49) HTR7ALDH1A1KDM4EDRD2DRD1

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