SCHEMBL7808256

SCHEMBL7808256

O=S(=O)(c1ccc(Cc2nnn[nH]2)cc1)C1CCN(CCc2ccc(F)cc2F)CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.68
HTR2C P28335 18/20 0.68
KCNH2 Q12809 17/20 0.68
DRD2 P14416 9/20 0.64

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
SCHEMBL5210193 0.82 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2
SCHEMBL6585510 0.81 HTR2A (0.83) HTR2AHTR2CKCNH2DRD2
SCHEMBL6589393 0.79 HTR2A (0.87) HTR2AHTR2CKCNH2DRD2
SCHEMBL6588137 0.78 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2
SCHEMBL6586256 0.78 HTR2A (0.70) HTR2AHTR2CKCNH2DRD2
SCHEMBL6586485 0.76 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2
SCHEMBL6587947 0.75 HTR2A (0.76) HTR2AHTR2CKCNH2DRD2
SCHEMBL7812233 0.75 HTR2A (0.71) HTR2AHTR2CKCNH2DRD2
SCHEMBL6583933 0.75 HTR2A (0.71) HTR2AHTR2CKCNH2DRD2
SCHEMBL6586878 0.75 HTR2A (0.74) HTR2AHTR2CKCNH2DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147084-A1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LTD. (GB) 2001-10-24 EP claimed
WO-2000043362-A1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2000-07-27 WO claimed
EP-1147084-A1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LTD. (GB) 2001-10-24 EP disclosed
WO-2000043362-A1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2000-07-27 WO disclosed