SCHEMBL4596752

SCHEMBL4596752

Cc1ccc(-c2cccc3c2OC(N(C)C(=O)O)C3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTR7 P34969 5/20 0.37
DRD2 P14416 1/20 0.37
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
PARP1 P09874 3/20 0.35
ALDH1A1 P00352 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 4/20 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
SCHEMBL4225937 0.92 HTR7 (0.43) HTR7DRD2PARP1ALDH1A1PRKAB2
SCHEMBL4596419 0.89 CAMKK2 (0.39) HTR7DRD2PRKAB2PRKAG1PRKAA2
SCHEMBL4597609 0.89 HTR7 (0.43) MAPTHTR7DRD2PARP1ALDH1A1
SCHEMBL4595383 0.89 HTR7 (0.43) HTR7DRD2EDNRBEDNRAPARP1
SCHEMBL4596677 0.86 DRD2 (0.47) RAB9ADRD2EDNRBEDNRAPRKAB2
SCHEMBL4228958 0.85 DRD2 (0.48) HTR7DRD2MAOAMAOBHTR1A
SCHEMBL4596574 0.85 ALDH1A1 (0.40) RAB9ANPC1MAPTHTR7DRD2
SCHEMBL4596236 0.85 MYC (0.39) MAPTHTR7DRD2PARP1ALDH1A1
SCHEMBL4596359 0.84 HTR7 (0.46) HTR7DRD2PRKAB2PRKAG1PRKAA2
SCHEMBL15758703 0.83 MAPT (0.34) RAB9ANPC1MAPTHTR7PARP1

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 4 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
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 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