SCHEMBL5583517

SCHEMBL5583517

[CH2]C1Cc2cc(Cl)cc(-c3ccc(F)c(F)c3)c2O1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 2/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
AQP1 P29972 3/20 0.33
CREBBP Q92793 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL4597197 0.90 USP7 (0.36) USP7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4597183 0.84 PRKAB2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5583518 0.83 PARP1 (0.38) USP7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596566 0.81 AQP1 (0.41) USP7HTR2AHTR2CAQP1
SCHEMBL4596852 0.81 HTR2A (0.46) USP7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4220019 0.80 PRKAB2 (0.58) USP7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4712016 0.80 AQP1 (0.40) USP7HTR2AHTR2CAQP1
SCHEMBL4231244 0.79 PRKAB2 (0.48) USP7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4963747 0.79 AQP1 (0.47) PTGS1PTGS2HTR2AHTR2CAQP1
SCHEMBL4596587 0.78 HTR2A (0.37) USP7PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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