SCHEMBL4597327

SCHEMBL4597327

FC(F)(F)c1ccc(-c2cccc3c2O[CH]C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
KIF11 P52732 4/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP2 O95551 1/20 0.35
PIK3CA P42336 1/20 0.35
SCN9A Q15858 1/20 0.35
ENPP1 P22413 1/20 0.35
KDR P35968 1/20 0.34
GAA P10253 1/20 0.34
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34
CHUK O15111 1/20 0.34
TXNRD1 Q16881 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
JAK2 O60674 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
SCHEMBL5586507 0.86 HTR1A (0.47) DRD2KDM4EALDH1A1CYP1A2POLB
SCHEMBL4761887 0.85 HTR1A (0.48) KDM4EALDH1A1HTR1AHTR7CHRM2
SCHEMBL27703072 0.81 TDP2 (0.38) DRD2KIF11KDM4EALDH1A1CYP1A2
SCHEMBL5586519 0.79 NPC1 (0.35) DRD2POLBHTR7RAB9ASMN1; SMN2
SCHEMBL6047911 0.74 DRD2 (0.46) DRD2KIF11KDM4EALDH1A1CYP1A2
SCHEMBL5586539 0.73 HTR1A (0.44) PIK3CAHTR1AHTR7SMN1; SMN2
SCHEMBL4762814 0.73 NTRK1 (0.32) TDP2KDR
Ammonia Solution, Strong SCHEMBL27703064 0.72 DRD2 (0.53) DRD2KIF11HTR1AHTR7TRPV1
SCHEMBL27703083 0.72 PTGDR2 (0.38) KDM4EALDH1A1POLBTDP2RAB9A
SCHEMBL5583570 0.72 HTR1A (0.41) KDM4EHTR1AHTR7CHRM2CHRM4

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 11 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 claimed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO 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
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-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 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