SCHEMBL4623675

SCHEMBL4623675

Cc1c(CC2Cc3cc(F)cc(-c4c(Cl)cccc4Cl)c3O2)cccc1S(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.57
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
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL4623673 0.85 AQP1 (0.57) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6047981 0.85 AQP1 (0.37) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4623590 0.77 PRKAB2 (0.37) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5523119 0.76 AQP1 (0.42) AQP1
SCHEMBL13911343 0.76 AQP1 (0.76) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4220558 0.76 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4230839 0.74 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8254836 0.74 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596640 0.74 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4220568 0.74 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