SCHEMBL7685522

SCHEMBL7685522

CC1(C)c2ccccc2S(=O)(=O)N1CCN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.48
HTR1A P08908 5/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
ADRA1D P25100 2/20 0.46
DRD2 P14416 7/20 0.45
DRD4 P21917 4/20 0.42
HTR1B P28222 1/20 0.42
DRD3 P35462 2/20 0.41

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
SCHEMBL7686952 0.83 ALDH1A1 (0.51) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL7687016 0.83 HTR1A (0.53) HTR7HTR1AADRA1AADRA1BADRA1D
SCHEMBL7683519 0.81 DRD2 (0.43) HTR7HTR1AADRA1AADRA1BADRA1D
SCHEMBL7682473 0.76 HTR1A (0.54) HTR7HTR1ADRD2DRD4
SCHEMBL7686993 0.76 DRD2 (0.46) HTR7HTR1ADRD2DRD4DRD3
SCHEMBL7684659 0.74 MEN1 (0.54) HTR1AADRA1AADRA1BDRD2DRD4
SCHEMBL7675521 0.73 HRH4 (0.54) HTR1AADRA1AADRA1BADRA1DDRD2
SCHEMBL7686048 0.73 HTR7 (0.42) HTR7HTR1ADRD2
SCHEMBL7683751 0.72 HTR1A (0.57) HTR7HTR1AADRA1AADRA1BADRA1D
SCHEMBL7677803 0.70 HTR7 (0.51) HTR7HTR1AADRA1AADRA1BADRA1D

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