SCHEMBL4596675

SCHEMBL4596675

Clc1cccc(Cl)c1-c1cccc2c1OC([CH]Cc1ccccc1)C2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.37
NOS3 P29474 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
FABP4 P15090 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RX7 Q99572 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL4595082 0.93 AQP1 (0.33) AQP1SIRT2
SCHEMBL4596399 0.91 HTR1A (0.34) AQP1DRD2DRD4DRD3TDP1
SCHEMBL6047944 0.89 P2RX7 (0.38) DRD2DRD4DRD3TDP1L3MBTL1
SCHEMBL4595481 0.85 AQP1 (0.43) AQP1TDP1L3MBTL1
SCHEMBL4596725 0.83 CHRM1 (0.33) AQP1SIRT2
SCHEMBL4596775 0.83 AQP1 (0.40) AQP1L3MBTL1
SCHEMBL6047967 0.81 MAPK1 (0.33) DRD2TDP1L3MBTL1
SCHEMBL4596928 0.76 PRKAB2 (0.35)
SCHEMBL4596984 0.76 AQP1 (0.45) AQP1L3MBTL1SIRT2
SCHEMBL4596492 0.76 AQP1 (0.36) AQP1SIRT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP 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