SCHEMBL4596874

SCHEMBL4596874

COc1cc2c(c(-c3c(C)cccc3C)c1)OC(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
PARP1 P09874 3/20 0.39
BRD4 O60885 2/20 0.38
CREBBP Q92793 1/20 0.38
DRD1 P21728 2/20 0.37
POLL Q9UGP5 1/20 0.37
MAOA P21397 3/20 0.37
HPGD P15428 1/20 0.37
HTR1A P08908 4/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL4597019 0.87 LMNA (0.38) KDM4EALDH1A1HSD17B10TSHRPARP1
SCHEMBL4597402 0.86 KDM4E (0.39) KDM4EALDH1A1HSD17B10TSHRBRD4
SCHEMBL4596870 0.85 DRD1 (0.37) DRD1MAOAHTR1APRKAB2PRKAG1
SCHEMBL4226402 0.84 PRKAB2 (0.52) DRD1HTR1APRKAB2PRKAG1PRKAA2
SCHEMBL4759260 0.83 PARP1 (0.42) KDM4ETSHRPARP1BRD4CREBBP
SCHEMBL4224670 0.82 PRKAB2 (0.42) DRD1MAOAHTR1APRKAB2PRKAG1
SCHEMBL4595334 0.82 PARP1 (0.41) PARP1BRD4CREBBPMAOAHTR1A
SCHEMBL4224665 0.81 AQP1 (0.56) DRD1MAOAHTR1APRKAB2PRKAG1
SCHEMBL4595445 0.81 PARP1 (0.51) PARP1BRD4CREBBPMAOAHTR1A
SCHEMBL4711421 0.80 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10TSHRBRD4

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-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP 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-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION 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