SCHEMBL4595505

SCHEMBL4595505

Fc1cc2c(c(-c3ccccc3C(F)(F)F)c1)O[C]C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.34
TRPA1 O75762 3/20 0.34
NOTUM Q6P988 2/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 3/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
HSD11B1 P28845 3/20 0.32
CYP2C19 P33261 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SCN9A Q15858 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4596282 0.82 AR (0.37) ARNOTUMCYP1A2CYP3A4HSD11B1
SCHEMBL6047914 0.80 S1PR1 (0.34) ALOX15HSD17B10POLBMAPT
SCHEMBL8254383 0.74 CTNNB1 (0.39) ARTRPA1NOTUMPIK3R1PIK3CA
Ammonia Solution, Strong SCHEMBL27703102 0.72 PARP1 (0.44) CYP1A2CYP3A4AKR1C3AKR1C2HSD11B1
SCHEMBL4226266 0.70 AQP1 (0.59) TRPA1NOTUMPIK3R1PIK3CAAKR1C3
SCHEMBL4927574 0.69 AQP1 (0.37) TRPA1PIK3R1PIK3CACYP1A2CYP3A4
SCHEMBL24017163 0.69 HSD11B1 (0.49) ARTRPA1CYP1A2CYP3A4AKR1C3
SCHEMBL8211139 0.69 AQP1 (0.46) TRPA1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL4609399 0.68 NOTUM (0.36) ARTRPA1NOTUMCYP3A4HSD11B1
SCHEMBL5323073 0.67 AQP1 (0.31) TRPA1AKR1C3AKR1C2

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
EP-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP claimed
EP-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP claimed
JP-2007509174-A 2007-04-12 JP claimed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO 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
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
EP-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP disclosed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 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-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS 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