SCHEMBL4623673

SCHEMBL4623673

O=S(=O)(O)c1ccccc1CCC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.57
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31

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
SCHEMBL4623675 0.85 AQP1 (0.57) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6047979 0.83 SSTR2 (0.44) AQP1SSTR2SSTR4SIRT2
SCHEMBL5203385 0.78 AQP1 (0.69) AQP1SSTR2SSTR4HTR2AHTR2C
SCHEMBL4225768 0.78 AQP1 (0.69) AQP1SSTR2SSTR4HTR2AHTR2C
SCHEMBL4220558 0.78 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4225668 0.76 AQP1 (0.67) AQP1SSTR2SSTR4HTR2ASIRT2
SCHEMBL13911343 0.76 AQP1 (0.76) AQP1SIRT2PRKAB2PRKAG1PRKAA2
SCHEMBL8254836 0.76 AQP1 (0.72) AQP1SSTR2SSTR4HTR2AHTR2C
SCHEMBL4220568 0.76 AQP1 (0.72) AQP1SSTR2SSTR4HTR2AHTR2C
SCHEMBL4596640 0.76 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1

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-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed