SCHEMBL4597162

SCHEMBL4597162

[CH2]C1Cc2cc(-c3ccccc3F)cc(F)c2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
DHODH Q02127 1/20 0.33
GRM2 Q14416 1/20 0.33
ADORA1 P30542 1/20 0.32
FFAR1 O14842 1/20 0.32
POLB P06746 1/20 0.31
HTR2C P28335 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL4596607 0.87 PRKAB2 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4706707 0.87 DHODH (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4597166 0.82 GRM2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596422 0.82 SLC6A9 (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4218780 0.79 PRKAB2 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596968 0.79 KDM1A (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4595105 0.78 TAAR1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4235882 0.78 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4709864 0.77 HTR1A (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596852 0.77 HTR2A (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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