SCHEMBL5606145

SCHEMBL5606145

COc1cc2c(c(-c3ccccc3C)c1)OC(C(C)N)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
MAOA P21397 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL5605793 0.87 MAPK14 (0.41) MAOALMNAMAPTKDM4ENPC1
SCHEMBL4597402 0.81 KDM4E (0.39) BRD4MAOALMNAMAPTKDM4E
SCHEMBL4226195 0.81 PRKAB2 (0.51) MAOAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4597398 0.80 LMNA (0.36) MAOAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5605454 0.79 MAPK14 (0.38)
SCHEMBL5605912 0.79 AQP1 (0.35) BRD4MAOALMNAMAPTKDM4E
SCHEMBL5606036 0.79 DPP4 (0.36) BRD4
SCHEMBL4223586 0.79 PRKAB2 (0.42) MAOAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5606147 0.78 LMNA (0.35) MAOAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4223573 0.76 AQP1 (0.47) MAOAPRKAB2PRKAG1PRKAA2PRKAA1

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
JP-2007509174-A 2007-04-12 JP claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO claimed