SCHEMBL4596712

SCHEMBL4596712

[CH2]C1Cc2ccc(F)c(-c3ccccc3C)c2O1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
ACHE P22303 1/20 0.31
HTR7 P34969 1/20 0.31
HTR1A P08908 3/20 0.30
AQP1 P29972 1/20 0.30
PDE3B Q13370 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
SCHEMBL4596715 0.84 HTR1A (0.43) ALDH1A1MAPK1NPC1GAARAB9A
SCHEMBL6047915 0.83 ALDH1A1 (0.35) ALDH1A1NPC1GAARAB9AHTR2A
SCHEMBL4596522 0.83 PTGS1 (0.37) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL4226843 0.81 PRKAB2 (0.39) ALDH1A1MAPK1NPC1GAARAB9A
SCHEMBL4220483 0.81 PRKAB2 (0.50) ALDH1A1MAPK1NPC1GAARAB9A
SCHEMBL4230833 0.80 PRKAB2 (0.41) ALDH1A1MAPK1NPC1GAARAB9A
SCHEMBL4596607 0.80 PRKAB2 (0.35) ALDH1A1MAPK1NPC1GAARAB9A
SCHEMBL4230830 0.79 AQP1 (0.52) ALDH1A1MAPK1HTR2AHTR2CPRKAB2
SCHEMBL6047939 0.78 HTR2A (0.40) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL4762566 0.78 AQP1 (0.42) ALDH1A1MAPK1HTR2AHTR2CPRKAB2

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 7 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-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