SCHEMBL7677803

SCHEMBL7677803

CCC1(CC)c2ccccc2S(=O)(=O)N1CCN1CCN(c2cccc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.51
HTR1A P08908 9/20 0.51
DRD2 P14416 5/20 0.51
HTR2A P28223 5/20 0.51
HTR6 P50406 3/20 0.51
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL7686165 0.94 HTR7 (0.54) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7687016 0.87 HTR1A (0.53) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7679781 0.78 HTR1A (0.50) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7677052 0.75 HTR1A (0.44) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7686952 0.72 ALDH1A1 (0.51) DRD2DRD3ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6712709 0.72 HTR1A (0.54) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7683742 0.71 DRD2 (0.48) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7686476 0.70 GAA (0.35)
SCHEMBL7685522 0.70 HTR7 (0.48) HTR7HTR1ADRD2DRD3ADRA1D
SCHEMBL9275980 0.70 HTR1A (0.57) HTR7HTR1ADRD2HTR2AHTR6

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