SCHEMBL4209784

SCHEMBL4209784

O=S(=O)(Nc1cc(N2CCNCC2)c2occc2c1)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.53
GHSR Q92847 2/20 0.46
TYMS P04818 1/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
NCF1 P14598 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
MTOR P42345 1/20 0.43
HTR3A P46098 1/20 0.43
HTR5A P47898 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43

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
SCHEMBL1380082 0.92 HTR6 (0.46) HTR6GHSRTYMSHTR3EHTR3B
SCHEMBL3626769 0.87 HTR6 (0.48) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL3620770 0.85 HTR6 (0.41) HTR6GHSRTYMSCYP1A2HTR1A
SCHEMBL3619404 0.85 HTR6 (0.49) HTR6GHSRHTR1AHTR1DHTR1B
SCHEMBL3622734 0.84 HTR6 (0.55) HTR6HTR1AHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1377178 0.83 HTR6 (0.54) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL1378277 0.82 LRRK2 (0.39) HTR6CYP1A2HTR1ACYP2D6HTR1D
SCHEMBL3620585 0.79 HTR6 (0.49) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL3614689 0.79 HTR6 (0.53) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL3612342 0.79 HTR6 (0.43) HTR6CYP2D6KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896460-B1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS BIOVITRUM AB PUBL (SE) 2009-07-22 EP disclosed
EP-1896460-A1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS Biovitrum AB (publ) (SE) 2008-03-12 EP disclosed
WO-2006134150-A1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS BIOVITRUM AB (PUBL) (SE) 2006-12-21 WO disclosed