SCHEMBL4596842

SCHEMBL4596842

[CH2]C1Cc2c(cccc2-c2c(C)cccc2C)O1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
MYC P01106 1/20 0.34
TYMS P04818 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
MAP3K14 Q99558 1/20 0.33
OPRD1 P41143 2/20 0.32
BCHE P06276 2/20 0.32
ABCB1 P08183 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
MAOB P27338 1/20 0.32
HTR7 P34969 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 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
SCHEMBL4596846 0.81 KDM4E (0.43) ACHEBRD4CREBBPMAOBKDM4E
SCHEMBL4223650 0.79 PRKAB2 (0.37) ACHEMYCTYMSHTR1ADRD2
SCHEMBL4596563 0.75 HTR1A (0.38) ACHEMYCHTR1ADRD2BRD4
SCHEMBL3694104 0.72 DPP4 (0.37) DRD2CA2
SCHEMBL4229500 0.71 MTNR1A (0.42) MYCTSHR
SCHEMBL4220081 0.70 ABCB1 (0.38) ACHEMYCABCB1MAOBHTR7
SCHEMBL4759254 0.69 AQP1 (0.36) HTR1ADRD2BRD4CREBBPHTR7
SCHEMBL4595332 0.68 AQP1 (0.40) BRD4CREBBPHTR7
SCHEMBL4595443 0.67 AQP1 (0.50) BRD4CREBBPHTR7
SCHEMBL5595459 0.67 ALDH1A1 (0.38) ACHEMYCTYMSMAP3K14HTR7

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