SCHEMBL4595606

SCHEMBL4595606

[CH2]C1Cc2cc(OC)cc(-c3cc(Cl)ccc3Cl)c2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.36
S1PR4 O95977 3/20 0.35
S1PR2 O95136 1/20 0.35
MAPT P10636 4/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.34
KDM1A O60341 1/20 0.33
HTR2C P28335 2/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
HTR6 P50406 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL4711134 0.90 AQP1 (0.46) AQP1MAPTMAPK1NPSR1KDM4E
SCHEMBL4713088 0.89 HTR2C (0.40) AQP1MAPTNPSR1KDM4EMEN1
SCHEMBL4595609 0.86 S1PR4 (0.38) AQP1S1PR4S1PR2MAPTMAPK1
SCHEMBL4595485 0.86 MAPK14 (0.41) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL4622435 0.85 HTR2A (0.42) AQP1MAPTMAPK1NPSR1ALDH1A1
SCHEMBL4766472 0.83 AQP1 (0.38) AQP1S1PR4MAPTMAPK1NPSR1
SCHEMBL5605916 0.83 MAPT (0.35) AQP1S1PR4S1PR2MAPTMAPK1
SCHEMBL4226437 0.82 AQP1 (0.57) AQP1S1PR4S1PR2MAPTMAPK1
SCHEMBL4595098 0.81 NUDT1 (0.42) AQP1LMNADPP4
SCHEMBL5605912 0.81 AQP1 (0.35) AQP1S1PR4S1PR2MAPTMAPK1

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-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 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-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