SCHEMBL4595448

SCHEMBL4595448

CC1Cc2cc(C(F)(F)F)cc(-c3cccc(Cl)c3)c2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.39
HTR7 P34969 3/20 0.39
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM3 P20309 1/20 0.35
GRM2 Q14416 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL4760717 0.89 HTR1A (0.44) HTR1AHTR7HPGDCHRM3MAOA
SCHEMBL4597052 0.86 HTR1A (0.39) HTR1AHTR7CHRM3GRM2MAOA
SCHEMBL4712620 0.86 MAOA (0.38) HTR1AHTR7MAOAMAOBPARP1
SCHEMBL4595446 0.86 GAA (0.37) HTR1AHTR7GAAHPGDMEN1
SCHEMBL4596885 0.86 MAOA (0.39) HTR1AHPGDMAOAMAOBPARP1
SCHEMBL4596127 0.84 GRM2 (0.38) GRM2MAOAMAOBGABRPGABRD
SCHEMBL4596822 0.83 KDM4E (0.44) HTR1AHTR7GAAHPGDMEN1
SCHEMBL4597185 0.82 MAOA (0.36) HTR1AGRM2MAOAMAOBPARP1
SCHEMBL4225658 0.82 AQP1 (0.50) HTR1AHTR7GAAHPGDMEN1
SCHEMBL4596906 0.82 HTR1A (0.39) HTR1AHTR7GRM2MAOAPARP1

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 10 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 disclosed
EP-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (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-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO 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
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