SCHEMBL5084553

SCHEMBL5084553

COc1ccc(-c2cc(C(F)(F)F)cc3c2O[CH]C3)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
CYP1A1 P04798 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CYP2C19 P33261 2/20 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
SCHEMBL27723637 0.85 GPBAR1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4766805 0.84 PTGDR2 (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL5134380 0.81 CYP3A4 (0.40) CYP1A1CYP3A4CYP1B1CYP2C19CYP1A2
SCHEMBL27703110 0.81 NPSR1 (0.45) CYP3A4CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL5058872 0.80 SMN1; SMN2 (0.47) ALDH1A1GAAHTTKDM4EHPGD
SCHEMBL4595399 0.79 CYP2C19 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4595398 0.79 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5586538 0.78 CYP3A4 (0.49) CYP1A1CYP3A4CYP1B1CYP2C19CYP1A2
SCHEMBL4224226 0.75 PRKAB2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4760683 0.75 CA12 (0.41) CYP2D6ALDH1A1LMNAGAAKDM4E

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-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP disclosed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO disclosed