SCHEMBL4608351

SCHEMBL4608351

Fc1cc2c(c(-c3cc(Cl)ccc3Cl)c1)O[CH]C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.42
HTR2B P41595 1/20 0.31
PDE4D Q08499 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL5586497 0.88 AQP1 (0.54) AQP1MAPTMAPK1NPSR1
SCHEMBL5586510 0.84 AQP1 (0.38) AQP1MAPTMAPK1L3MBTL1CHRM1
SCHEMBL27703089 0.82 AQP1 (0.44) AQP1
SCHEMBL5583525 0.82 S1PR4 (0.34) HTR2BPDE4DMAPTMAPK1NPSR1
SCHEMBL27723664 0.82 AQP1 (0.36) AQP1MAPT
SCHEMBL4763783 0.82 BIRC5 (0.35)
SCHEMBL27703157 0.80 AQP1 (0.46) AQP1
SCHEMBL4770057 0.79 S1PR4 (0.37) MAPTMAPK1NPSR1TDP1L3MBTL1
SCHEMBL4607974 0.78 AQP1 (0.32) AQP1MAPTTDP1
SCHEMBL5583498 0.78 AQP1 (0.38) AQP1MAPTL3MBTL1

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
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