SCHEMBL7822657

SCHEMBL7822657

CCSC1CC(CCCN2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2sccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.38
DRD2 P14416 7/20 0.38
DRD3 P35462 6/20 0.38
HTR1A P08908 5/20 0.38
HTR2A P28223 5/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
DRD4 P21917 2/20 0.37
HTR2C P28335 2/20 0.36
HRH1 P35367 2/20 0.36
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR5A P47898 1/20 0.36

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
SCHEMBL7819559 0.84 HTR7 (0.41) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL7816875 0.84 HTR7 (0.38) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL7808397 0.84 HTR7 (0.39) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL7820294 0.81 HTR7 (0.45) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL7818350 0.79 MAPT (0.41) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL7977455 0.78 HTR7 (0.40) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL7822680 0.78 ABCB1 (0.41) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL7819153 0.76 GRIN1 (0.41) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL7994758 0.76 HTR7 (0.41) HTR7DRD2DRD3DRD4MEN1
SCHEMBL7818373 0.76 HTR7 (0.44) HTR7DRD2DRD3HTR1AHTR2A

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
EP-0749971-B1 Thiopyran derivatives SUNTORY LTD (JP) 2001-03-14 EP disclosed