SCHEMBL7686993

SCHEMBL7686993

CC1(C)c2ccccc2S(=O)(=O)N1CCCN1CCN(c2cccc3c2CCCC3)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.46
HTR2A P28223 9/20 0.46
HTR1A P08908 8/20 0.46
HTR7 P34969 8/20 0.41
HTR6 P50406 3/20 0.40
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL7683519 0.92 DRD2 (0.43) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL7684659 0.79 MEN1 (0.54) DRD2HTR1ADRD4DRD3
SCHEMBL7686952 0.78 ALDH1A1 (0.51) DRD2DRD3
SCHEMBL7683751 0.77 HTR1A (0.57) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL7686048 0.77 HTR7 (0.42) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL7687016 0.76 HTR1A (0.53) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL7685522 0.76 HTR7 (0.48) DRD2HTR1AHTR7DRD4DRD3
SCHEMBL7686047 0.73 HTR1A (0.57) DRD2HTR1AHTR7DRD3
SCHEMBL7683742 0.72 DRD2 (0.48) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL14591333 0.71 HTR1A (0.54) DRD2HTR2AHTR1AHTR6DRD4

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
US-6346622-B1 ENANTIOMORPHS AND ISOMERS ABBOTT LABORATORIES 2002-02-12 US disclosed