SCHEMBL4595494

SCHEMBL4595494

[CH2]C1Cc2cccc(-c3c(Cl)cc(Cl)cc3Cl)c2O1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.36
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
HTR7 P34969 4/20 0.32
HTR1A P08908 3/20 0.32
THRB P10828 1/20 0.31
EZH2 Q15910 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
SCHEMBL4596979 0.91 AQP1 (0.40) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4595291 0.85 AQP1 (0.44) AQP1HTR7HTR1ATHRB
SCHEMBL4597588 0.85 HTR7 (0.43) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4711112 0.82 HTR2A (0.36) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4595495 0.82 PARP1 (0.46) AQP1HTR7HTR1A
SCHEMBL4596978 0.82 AQP1 (0.47) AQP1EZH2
SCHEMBL4649843 0.81 HTR1A (0.40) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4713782 0.78 AQP1 (0.37) AQP1EZH2
SCHEMBL4229544 0.78 AQP1 (0.55) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4225662 0.78 AQP1 (0.44) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP claimed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO claimed
JP-2007509174-A 2007-04-12 JP claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO claimed
EP-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2006116148-A2 (7-ARLYSUBSTITUTED 2, 3-DIHYDR0-1-BENZ0FURAN-2-YL) ALKYLAMINES IN THE TREATMENT' OF SUBSTANCE ABUSE WYETH (US) 2006-11-02 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