SCHEMBL4595098

SCHEMBL4595098

[CH2]C1Cc2cc(OC)cc(-c3cccc(Cl)c3Cl)c2O1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.42
MAPK14 Q16539 4/20 0.35
LMNA P02545 1/20 0.34
CHRM5 P08912 1/20 0.34
AQP1 P29972 1/20 0.34
P2RX7 Q99572 2/20 0.33
DRD1 P21728 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DPP4 P27487 2/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL4595485 0.90 MAPK14 (0.41) MAPK14LMNACHRM5DPP4ALOX15
SCHEMBL4595103 0.86 NUDT1 (0.43) NUDT1MAPK14LMNACHRM5AQP1
SCHEMBL4713782 0.83 AQP1 (0.37) NUDT1AQP1ALOX15
SCHEMBL4226069 0.82 PRKAB2 (0.50) NUDT1MAPK14LMNACHRM5AQP1
SCHEMBL4595606 0.81 AQP1 (0.36) LMNAAQP1DPP4
SCHEMBL4711134 0.81 AQP1 (0.46) LMNAAQP1P2RX7DPP4SLC6A3
SCHEMBL4597017 0.81 LMNA (0.38) LMNADRD1HTR1ADRD2
SCHEMBL4597398 0.81 LMNA (0.36) LMNA
SCHEMBL4711430 0.81 HTR7 (0.38) LMNA
SCHEMBL4767758 0.81 AQP1 (0.48) NUDT1AQP1P2RX7ALOX15

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-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP claimed
JP-2007509174-A 2007-04-12 JP claimed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO 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-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 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-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS 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