SCHEMBL4761887

SCHEMBL4761887

FC(F)(F)c1cccc(-c2cccc3c2O[CH]C3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
NOTUM Q6P988 1/20 0.42
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5586507 0.90 HTR1A (0.47) HTR1AHTR7NOTUMALOX15ALOX12
SCHEMBL5583570 0.87 HTR1A (0.41) HTR1AHTR7NOTUMALOX15ALOX12
SCHEMBL4597327 0.85 DRD2 (0.47) HTR1AHTR7CHRM2CHRM4CHRM5
SCHEMBL5586539 0.80 HTR1A (0.44) HTR1AHTR7NOTUMALOX15ALOX12
SCHEMBL5583557 0.77 HTR1A (0.44) HTR1AHTR7NOTUMALOX15ALOX12
SCHEMBL5583652 0.77 ENPP3 (0.40) ALOX15ALOX12PARP10PARP11MAOB
SCHEMBL27703048 0.76 HTR1A (0.36) HTR1AHTR7CHRM3PARP10PARP11
SCHEMBL6047889 0.75 HTR1A (0.44) HTR1AHTR7NOTUMALOX15ALOX12
SCHEMBL27703084 0.75 GAA (0.41) HTR1AHTR7RORCRORBCHRM3
SCHEMBL4596605 0.75 ENPP1 (0.36) HTR1AHTR7MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP claimed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP claimed
JP-2007509174-A 2007-04-12 JP claimed
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 claimed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO 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-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