SCHEMBL4596973

SCHEMBL4596973

CN(C(=O)O)C1Cc2cccc(-c3ccccc3F)c2O1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.41
HTR7 P34969 5/20 0.41
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
SLC6A9 P48067 1/20 0.35
KIF11 P52732 3/20 0.34
PARP1 P09874 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL15758969 0.88 PARP1 (0.38) HTR1AHTR7SMN1; SMN2PRKAB2PRKAG1
SCHEMBL4596574 0.86 ALDH1A1 (0.40) HTR7SMN1; SMN2PRKAB2PRKAG1PRKAA2
SCHEMBL4225937 0.86 HTR7 (0.43) HTR1AHTR7POLBSMN1; SMN2PRKAB2
SCHEMBL4597609 0.85 HTR7 (0.43) HTR1AHTR7POLBSMN1; SMN2PRKAB2
SCHEMBL4595391 0.85 HTR1A (0.41) HTR1AHTR7SMN1; SMN2NPSR1SLC6A9
SCHEMBL4226852 0.84 CNR2 (0.38) POLBSMN1; SMN2ALDH1A1
SCHEMBL4230022 0.83 SMN1; SMN2 (0.35) SMN1; SMN2PARP1
SCHEMBL4596359 0.83 HTR7 (0.46) HTR1AHTR7PRKAB2PRKAG1PRKAA2
SCHEMBL4596754 0.83 HTR7 (0.43) HTR7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596752 0.81 RAB9A (0.38) HTR1AHTR7SMN1; SMN2PRKAB2PRKAG1

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