SCHEMBL4595488

SCHEMBL4595488

COc1cc2c(c(-c3ccccc3Cl)c1)OC(C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.42
LMNA P02545 1/20 0.36
MAOA P21397 1/20 0.36
DPP4 P27487 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABCB1 P08183 1/20 0.34

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
SCHEMBL4595103 0.90 NUDT1 (0.43) MAPK14LMNAALDH1A1KDM4ETSHR
SCHEMBL4595485 0.86 MAPK14 (0.41) MAPK14LMNAMAOADPP4ALDH1A1
SCHEMBL4758945 0.86 AQP1 (0.46) LMNADPP4ALDH1A1KDM4ENPC1
SCHEMBL4595609 0.86 S1PR4 (0.38) LMNADPP4ALDH1A1KDM4EMAPT
SCHEMBL4711431 0.85 TP53 (0.41) LMNAALDH1A1KDM4EGAAHPGD
SCHEMBL4597402 0.85 KDM4E (0.39) LMNAMAOAALDH1A1KDM4ENPC1
SCHEMBL4596755 0.84 MAPT (0.41) LMNADPP4ALDH1A1KDM4ENPC1
SCHEMBL5605796 0.84 MAPK14 (0.40) MAPK14LMNAMAOADPP4ALDH1A1
SCHEMBL4225377 0.83 AQP1 (0.52) MAPK14LMNAMAOADPP4TSHR
SCHEMBL4710394 0.82 CNR1 (0.38) MAOACNR1CNR2ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP claimed
JP-2007509174-A 2007-04-12 JP claimed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO 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-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP disclosed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP disclosed
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
WO-2006116148-A2 (7-ARLYSUBSTITUTED 2, 3-DIHYDR0-1-BENZ0FURAN-2-YL) ALKYLAMINES IN THE TREATMENT' OF SUBSTANCE ABUSE WYETH (US) 2006-11-02 WO disclosed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 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