SCHEMBL4596282

SCHEMBL4596282

FC(F)(F)c1ccccc1-c1cccc2c1O[C]C2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
NOTUM Q6P988 2/20 0.36
HSD11B1 P28845 3/20 0.35
SCN9A Q15858 1/20 0.35
CYP3A4 P08684 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 2/20 0.34
PSMB8 P28062 1/20 0.34
ALDH1A1 P00352 2/20 0.33
EPHX2 P34913 1/20 0.33
CNR2 P34972 1/20 0.33
SLC9A1 P19634 1/20 0.33
GALR1 P47211 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4595505 0.82 AR (0.34) ARNOTUMHSD11B1SCN9ACYP3A4
SCHEMBL6047911 0.77 DRD2 (0.46) SCN9ACYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL6047905 0.76 HTR1A (0.43) NOTUMCYP1A2CYP2C19ALDH1A1
SCHEMBL4650698 0.76 SMN1; SMN2 (0.35) HTR2AHTR2CCYP3A4CYP1A2CYP2C19
SCHEMBL4609399 0.75 NOTUM (0.36) ARHTR2AHTR2CNOTUMHSD11B1
SCHEMBL6047889 0.75 HTR1A (0.44) HTR2CNOTUMALDH1A1EPHX2SLC9A1
SCHEMBL197671 0.71 HSD11B1 (0.56) ARNOTUMHSD11B1CYP3A4CYP1A2
SCHEMBL4597187 0.69 MYC (0.39)
Ammonia Solution, Strong SCHEMBL27703077 0.69 PARP1 (0.43) HTR2AHTR2CNOTUMHSD11B1CYP3A4
Hydrochloric Acid SCHEMBL29010139 0.69 HSD11B1 (0.54) ARNOTUMHSD11B1CYP3A4CYP1A2

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-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
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (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-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION 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