SCHEMBL6821065

SCHEMBL6821065

CN(C)CCOc1cn(Cc2ccccc2)c2ccc(Cl)cc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.50
ALDH1A1 P00352 1/20 0.49
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
HTR1B P28222 1/20 0.40

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
SCHEMBL6817307 0.91 HTR6 (0.47) HTR6ALDH1A1DRD2DRD1DRD4
SCHEMBL6820226 0.87 HTR6 (0.49) HTR6ALDH1A1DRD2DRD1DRD4
SCHEMBL6820454 0.86 HTR6 (0.61) HTR6ALDH1A1DRD2DRD1DRD4
SCHEMBL6821057 0.86 HTR6 (0.69) HTR6ALDH1A1
SCHEMBL6817351 0.85 UTS2R (0.50) HTR6ALDH1A1DRD2DRD1DRD4
SCHEMBL6820760 0.82 DRD2 (0.43) HTR6ALDH1A1DRD2DRD1DRD4
SCHEMBL6919395 0.82 HTR6 (0.42) HTR6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6817280 0.81 HTR7 (0.45) HTR6ALDH1A1DRD2DRD1DRD4
SCHEMBL3556008 0.77 HTR6 (0.53) HTR6DRD2HTR1B
SCHEMBL6820991 0.77 HTR6 (0.52) HTR6ALDH1A1KDM4EGAAMAPK1

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