SCHEMBL4597121

SCHEMBL4597121

COc1ccccc1-c1cc(C(F)(F)F)cc2c1OC(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PTPN5 P54829 1/20 0.38
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
S1PR1 P21453 1/20 0.37
CETP P11597 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36

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
SCHEMBL4596753 0.90 SMN1; SMN2 (0.46) GPBAR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4597118 0.88 GPBAR1 (0.39) GPBAR1PDE3BPDE3APTPN5PGR
SCHEMBL4595399 0.86 CYP2C19 (0.39) KDM4EALDH1A1HSD17B10GAATSHR
SCHEMBL4226219 0.84 PRKAB2 (0.52) GPBAR1PTPN5PGRARCETP
SCHEMBL4596604 0.84 PARP1 (0.45) S1PR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4597090 0.84 PARP1 (0.36) GPBAR1PDE3BPDE3A
SCHEMBL4596606 0.84 MAOA (0.39) GPBAR1GABRPGABRDGABRA1GABRB1
SCHEMBL4597053 0.84 GPBAR1 (0.36) GPBAR1ALDH1A1HSD17B10HTTGABRP
SCHEMBL4596891 0.82 THRB (0.39) GPBAR1CETP
SCHEMBL4769846 0.82 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10HPGDGAA

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 12 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
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-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
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