SCHEMBL7686047

SCHEMBL7686047

CC1(C)c2ccccc2S(=O)(=O)N1CCCN1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.57
HTR3A P46098 7/20 0.51
HRH3 Q9Y5N1 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
CYP1A2 P05177 1/20 0.51
THPO P40225 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
DRD2 P14416 2/20 0.47
DRD3 P35462 1/20 0.46
HTR7 P34969 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL7683751 0.81 HTR1A (0.57) HTR1AHRH3ALDH1A1CYP1A2DRD2
SCHEMBL7686113 0.79 LMNA (0.51) KDM4EALDH1A1CYP1A2
SCHEMBL7684659 0.76 MEN1 (0.54) HTR1AALDH1A1DRD2DRD3
SCHEMBL7686048 0.75 HTR7 (0.42) HTR1AKDM4EDRD2HTR7
SCHEMBL7996580 0.74 HTR1A (0.63) HTR1AHTR3AHRH3KDM4EALDH1A1
SCHEMBL7687016 0.74 HTR1A (0.53) HTR1AHTR3ADRD2DRD3HTR7
SCHEMBL7686993 0.73 DRD2 (0.46) HTR1ADRD2DRD3HTR7
SCHEMBL7675521 0.73 HRH4 (0.54) HTR1AHRH3ALDH1A1HRH4DRD2
SCHEMBL3679755 0.72 HTR1A (0.65) HTR1AHTR3AHRH3KDM4EALDH1A1
SCHEMBL647772 0.72 HTR1A (0.65) HTR1AHTR3AHRH3KDM4EALDH1A1

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