SCHEMBL4596754

SCHEMBL4596754

COc1ccccc1-c1cccc2c1OC(N(C)C(=O)O)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
SLC6A9 P48067 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL4596574 0.84 ALDH1A1 (0.40) HTR7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4225937 0.84 HTR7 (0.43) HTR7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596677 0.83 DRD2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596973 0.83 HTR1A (0.41) HTR7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4595391 0.83 HTR1A (0.41) HTR7SLC6A9ALDH1A1HSD17B10
SCHEMBL4230022 0.81 SMN1; SMN2 (0.35) CA1CA2
SCHEMBL4597609 0.81 HTR7 (0.43) HTR7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596769 0.81 HTR1A (0.47) HTR7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226852 0.80 CNR2 (0.38) ALDH1A1HPGDTDP1
SCHEMBL4596752 0.79 RAB9A (0.38) HTR7PRKAB2PRKAG1PRKAA2PRKAA1

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