SCHEMBL4759176

SCHEMBL4759176

COc1cc2c(c(-c3cc(F)ccc3F)c1)O[CH]C2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.36
NQO2 P16083 1/20 0.35
NFE2L2 Q16236 1/20 0.34
IDH2 P48735 1/20 0.32
DPP4 P27487 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
ACHE P22303 2/20 0.31
MAOB P27338 1/20 0.31
MAPT P10636 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
SCHEMBL4794338 0.89 MAPK14 (0.41) MAPK14NQO2NFE2L2MAOB
SCHEMBL4607974 0.84 AQP1 (0.32) CA1CA2MAPT
SCHEMBL4772006 0.80 TP53 (0.34) MAPK14MAPT
SCHEMBL4768176 0.78 PTGS2 (0.39) MAPT
SCHEMBL4960255 0.77 CETP (0.35)
SCHEMBL4713098 0.76 PARP1 (0.39) MAPK14IDH2DPP4ACHEMAOB
SCHEMBL4760683 0.76 CA12 (0.41) CA1CA2MAPT
SCHEMBL4770057 0.76 S1PR4 (0.37) MAPT
SCHEMBL4713095 0.75 MAOB (0.36) MAPK14NQO2IDH2DPP4CA1
SCHEMBL27703115 0.75 MAPT (0.39) MAPK14MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP claimed
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 claimed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP disclosed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP disclosed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO disclosed
WO-2006116171-A1 TREATMENT OF PAIN WYETH (US) 2006-11-02 WO disclosed