SCHEMBL5583754

SCHEMBL5583754

FC(F)(F)c1cc2c(c(-c3ccccc3C(F)(F)F)c1)O[CH]C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 2/20 0.33
EPHX2 P34913 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
AR P10275 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33

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
SCHEMBL27703070 0.86 GPBAR1 (0.36) EPHX2GPBAR1
SCHEMBL27703057 0.84 TACR1 (0.37) GPBAR1ARHSD11B1
SCHEMBL4712286 0.84 TACR1 (0.38) GPBAR1GABRPGABRDGABRA1GABRB1
SCHEMBL27723637 0.81 GPBAR1 (0.38) GPBAR1ARGABRPGABRDGABRA1
SCHEMBL28772994 0.81 DPP4 (0.36) CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5080947 0.81 GPBAR1 (0.35) GPBAR1HSD11B1
SCHEMBL4596883 0.80 GPBAR1 (0.37) GPBAR1
SCHEMBL27703072 0.78 TDP2 (0.38) CYP1A2CYP2C19PIK3CA
SCHEMBL5583570 0.77 HTR1A (0.41) NOTUM
SCHEMBL4713338 0.76 GPBAR1 (0.34) GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448492-A Methods of treating cognitive and other disorders WYETH CORP (US) 2009-06-03 CN claimed
CN-101389325-A Treatment of drug abuse WYETH CORP (US) 2009-03-18 CN claimed
CN-101203217-A Methods for modulating bladder function WYETH CORP (US) 2008-06-18 CN claimed
CN-101203216-A Dihydrobenzofuran derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN claimed
CN-101198322-A Novel therapeutic combinations for the treatment or prevention of depression WYETH CORP (US) 2008-06-11 CN claimed
CN-101198323-A Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH CORP (US) 2008-06-11 CN claimed
CN-101189004-A Treatment of pain WYETH CORP (US) 2008-05-28 CN claimed
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
CN-101448492-A Methods of treating cognitive and other disorders WYETH CORP (US) 2009-06-03 CN disclosed
CN-101389325-A Treatment of drug abuse WYETH CORP (US) 2009-03-18 CN disclosed
CN-101203217-A Methods for modulating bladder function WYETH CORP (US) 2008-06-18 CN disclosed
CN-101203216-A Dihydrobenzofuran derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN disclosed
CN-101198322-A Novel therapeutic combinations for the treatment or prevention of depression WYETH CORP (US) 2008-06-11 CN disclosed
CN-101198323-A Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH CORP (US) 2008-06-11 CN disclosed
CN-101189004-A Treatment of pain WYETH CORP (US) 2008-05-28 CN disclosed