SCHEMBL4595474

SCHEMBL4595474

[CH2]C1Cc2cc(-c3cccc(C)c3)cc(F)c2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PTPN5 P54829 1/20 0.33
RPS6KA3 P51812 1/20 0.33
FYN P06241 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
ACHE P22303 1/20 0.32
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
ENPP3 O14638 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
HPGD P15428 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
SCHEMBL4595105 0.86 TAAR1 (0.36) PARP10PARP11PDE3BPDE3ANISCH
SCHEMBL4595479 0.85 PARP1 (0.38) PARP10PARP11PDE3BPDE3ARPS6KA3
SCHEMBL4597245 0.85 FFAR4 (0.31) PDE3BPDE3A
SCHEMBL4597571 0.84 PGR (0.35) PARP10PARP11
SCHEMBL4595544 0.83 CYP1A1 (0.40) RPS6KA3HTR2CSIGMAR1
SCHEMBL4231243 0.81 PRKAB2 (0.51) PARP10PARP11PDE3BPDE3ARPS6KA3
SCHEMBL5060185 0.80 AQP1 (0.40) PDE3BPDE3ARPS6KA3FYNCLK4
SCHEMBL5583519 0.80 CNR2 (0.36) PARP10PARP11FYNCLK4DYRK1B
SCHEMBL4596968 0.79 KDM1A (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596607 0.78 PRKAB2 (0.35) PDE3BPDE3ACLK4NPC1RAB9A

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