SCHEMBL4759409

SCHEMBL4759409

[CH2]C1Cc2cc(C(F)(F)F)cc(-c3cc(F)ccc3F)c2O1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.35
AQP1 P29972 2/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
KDM1A O60341 1/20 0.30
ACHE P22303 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
SCHEMBL4712609 0.90 GPBAR1 (0.35) CETPGPBAR1AQP1PDE3BPDE3A
SCHEMBL4711309 0.88 AQP1 (0.43) CETPAQP1PDE3BPDE3AACHE
SCHEMBL4759415 0.86 PARP1 (0.39) CETPGPBAR1AQP1PDE3BPDE3A
SCHEMBL4597087 0.85 GPBAR1 (0.34) GPBAR1PDE3BPDE3A
SCHEMBL4596566 0.84 AQP1 (0.41) AQP1ACHE
SCHEMBL4597024 0.84 PTGS1 (0.34) PDE3BPDE3A
SCHEMBL4218858 0.83 AQP1 (0.55) CETPGPBAR1AQP1PDE3BPDE3A
SCHEMBL4597183 0.82 PRKAB2 (0.34) PDE3BPDE3A
SCHEMBL4597049 0.81 HTR1A (0.38) AQP1PDE3BPDE3A
SCHEMBL4711150 0.81 GPBAR1 (0.36) GPBAR1PDE3BPDE3A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP claimed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP claimed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO claimed
WO-2006116171-A1 TREATMENT OF PAIN WYETH (US) 2006-11-02 WO claimed
EP-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP disclosed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP disclosed
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116148-A2 (7-ARLYSUBSTITUTED 2, 3-DIHYDR0-1-BENZ0FURAN-2-YL) ALKYLAMINES IN THE TREATMENT' OF SUBSTANCE ABUSE WYETH (US) 2006-11-02 WO disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 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