SCHEMBL4595609

SCHEMBL4595609

COc1cc2c(c(-c3cc(Cl)ccc3Cl)c1)OC(C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.38
S1PR2 O95136 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
AQP1 P29972 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL4758945 0.90 AQP1 (0.46) MAPTKDM4EALDH1A1NPSR1AQP1
SCHEMBL4713089 0.89 HTR2C (0.40) MAPTKDM4EALDH1A1NPSR1MEN1
SCHEMBL4622437 0.86 AQP1 (0.41) MAPTNPSR1AQP1MAPK1HTR2C
SCHEMBL4595606 0.86 AQP1 (0.36) S1PR4S1PR2MAPTKDM4EALDH1A1
SCHEMBL4595488 0.86 MAPK14 (0.42) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL5605916 0.84 MAPT (0.35) S1PR4S1PR2MAPTKDM4EALDH1A1
SCHEMBL4226437 0.83 AQP1 (0.57) S1PR4S1PR2MAPTKDM4EALDH1A1
SCHEMBL4766477 0.83 AQP1 (0.39) S1PR4MAPTKDM4EALDH1A1NPSR1
SCHEMBL5605912 0.82 AQP1 (0.35) S1PR4S1PR2MAPTKDM4EALDH1A1
SCHEMBL4713102 0.82 AQP1 (0.54) MAPTKDM4EALDH1A1NPSR1AQP1

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-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP claimed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF 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
EP-1871354-A1 TREATMENT OF PAIN 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-2006116171-A1 TREATMENT OF PAIN 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