SCHEMBL4596540

SCHEMBL4596540

Fc1cc2c(c(-c3c(Cl)cccc3Cl)c1)O[CH]C2

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.50
NOS3 P29474 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
SCHEMBL4609617 0.86 AQP1 (0.36) AQP1
SCHEMBL5583498 0.85 AQP1 (0.38) AQP1
SCHEMBL5586510 0.85 AQP1 (0.38) AQP1
SCHEMBL5586497 0.78 AQP1 (0.54) AQP1
SCHEMBL27723664 0.77 AQP1 (0.36) AQP1
SCHEMBL28769082 0.77 HTR1A (0.37)
SCHEMBL27723761 0.74 PTGS2 (0.35)
SCHEMBL4607974 0.73 AQP1 (0.32) AQP1
SCHEMBL5595803 0.73 CNR2 (0.33)
SCHEMBL8256879 0.72 AQP1 (0.47) AQP1

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 5 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