SCHEMBL4597187

SCHEMBL4597187

Cc1cccc(C)c1-c1cccc2c1O[C]C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
HTR7 P34969 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL4650698 0.86 SMN1; SMN2 (0.35) MYCHTR7
SCHEMBL4596881 0.75 NOTUM (0.36) HRH4
SCHEMBL4596565 0.68 PARP1 (0.53) HTR1ADRD2HTR7
SCHEMBL6047905 0.67 HTR1A (0.43) HTR1ADRD2HTR7
SCHEMBL4596563 0.67 HTR1A (0.38) MYCHTR1ADRD2HTR7
SCHEMBL4222094 0.66 PRKAB2 (0.56) MYCHTR1ADRD2HTR7
SCHEMBL28899579 0.65 MYC (0.58) MYCCA1CA2CA7CA9
SCHEMBL8210984 0.64 PRKAB2 (0.43) HTR1ADRD2CA2
SCHEMBL1133067 0.63 MYC (0.56) MYCCA1CA2CA7CA9
SCHEMBL4161420 0.62 CA1 (0.48) MYCCA1CA2CA7CA9

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