SCHEMBL7687016

SCHEMBL7687016

CC1(C)c2ccccc2S(=O)(=O)N1CCN1CCN(c2cccc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.53
HTR7 P34969 7/20 0.53
DRD2 P14416 5/20 0.53
HTR2A P28223 5/20 0.53
HTR6 P50406 2/20 0.53
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
HTR2C P28335 2/20 0.43
DRD3 P35462 1/20 0.43
DRD1 P21728 1/20 0.42
HTR3A P46098 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
SCHEMBL7677803 0.87 HTR7 (0.51) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7679781 0.86 HTR1A (0.50) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7686952 0.85 ALDH1A1 (0.51) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL7677052 0.85 HTR1A (0.44) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7685522 0.83 HTR7 (0.48) HTR1AHTR7DRD2ADRA1DADRA1A
SCHEMBL7683742 0.82 DRD2 (0.48) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7683519 0.81 DRD2 (0.43) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7686165 0.81 HTR7 (0.54) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7681793 0.80 HTR1A (0.47) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7686977 0.80 HTR1A (0.47) HTR1AHTR7DRD2HTR2AHTR6

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