SCHEMBL4830417

SCHEMBL4830417

CN(CC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.65
HTR2A P28223 4/20 0.33
HTR2C P28335 3/20 0.33
HRH1 P35367 3/20 0.33
EZH2 Q15910 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL4231389 0.88 AQP1 (0.71) AQP1HTR2AHTR2CHRH1EZH2
SCHEMBL4220492 0.88 AQP1 (0.71) AQP1HTR2AHTR2CHRH1EZH2
SCHEMBL4788915 0.85 AQP1 (0.53) AQP1HTR2AHTR2CHRH1EZH2
SCHEMBL4968896 0.84 AQP1 (0.43) AQP1HTR2AHTR2CHRH1PRKAB2
SCHEMBL4837073 0.83 AQP1 (0.44) AQP1HTR2AHTR2CHRH1PRKAB2
SCHEMBL13911343 0.82 AQP1 (0.76) AQP1EZH2PRKAB2PRKAG1PRKAA2
SCHEMBL4966046 0.81 AQP1 (0.48) AQP1HTR2AHTR2CPRKAB2PRKAG1
SCHEMBL4965176 0.81 AQP1 (0.41) AQP1HTR2AHTR2CPRKAB2PRKAG1
SCHEMBL4596829 0.80 AQP1 (0.58) AQP1
SCHEMBL8254836 0.79 AQP1 (0.72) AQP1HTR2AHTR2CEZH2PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed