SCHEMBL7822659

SCHEMBL7822659

CCSc1cc2c(s1)S(=O)(=O)C(CCCN1CCN(c3ccc(F)cc3)CC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.42
DRD2 P14416 4/20 0.38
HTR2A P28223 3/20 0.38
DRD1 P21728 2/20 0.38
HTR1A P08908 2/20 0.38
DRD3 P35462 2/20 0.38
DRD5 P21918 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL7819153 0.80 GRIN1 (0.41) HTR7DRD2HTR2ADRD1HTR1A
SCHEMBL7821213 0.75 GRIN1 (0.50) HTR7DRD2HTR2ADRD1HTR1A
SCHEMBL7822657 0.71 HTR7 (0.38) HTR7DRD2HTR2ADRD1HTR1A
SCHEMBL7977455 0.70 HTR7 (0.40) HTR7DRD2HTR2ADRD1HTR1A
SCHEMBL7819195 0.70 HTR7 (0.42) HTR7DRD2HTR2AHTR1ADRD3
SCHEMBL7818373 0.67 HTR7 (0.44) HTR7DRD2HTR2ADRD1HTR1A
SCHEMBL7816875 0.67 HTR7 (0.38) HTR7DRD2HTR2ADRD1HTR1A
SCHEMBL7819559 0.67 HTR7 (0.41) HTR7DRD2HTR2ADRD1HTR1A
SCHEMBL7808397 0.67 HTR7 (0.39) HTR7DRD2HTR2ADRD1HTR1A
SCHEMBL7817762 0.66 HTR7 (0.39) HTR7DRD2HTR2ADRD1HTR1A

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