SCHEMBL4597006

SCHEMBL4597006

CNCC1Cc2cccc(-c3ccccc3F)c2O1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.55
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA2 P54646 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
CYP2D6 P10635 3/20 0.39
HTR1A P08908 5/20 0.39
HTR7 P34969 5/20 0.39
HTR2A P28223 4/20 0.37
SLC6A3 Q01959 1/20 0.37
HRH1 P35367 3/20 0.36
HTR2C P28335 2/20 0.36

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
SCHEMBL4595447 0.91 AQP1 (0.54) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4597068 0.87 AQP1 (0.60) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4595087 0.87 AQP1 (0.57) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4229927 0.86 AQP1 (0.51) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4219199 0.86 AQP1 (0.67) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226529 0.85 AQP1 (0.54) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596812 0.84 AQP1 (0.58) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4225466 0.84 AQP1 (0.61) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4230508 0.84 AQP1 (0.61) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226249 0.83 AQP1 (0.52) 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 4 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
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO 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