SCHEMBL8077491

SCHEMBL8077491

O=C1c2cc(O)c(O)cc2CC1CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.72
ACHE P22303 3/20 0.72
FAAH O00519 1/20 0.72
ABCC4 O15439 1/20 0.72
CACNA1F O60840 1/20 0.72
PDE5A O76074 1/20 0.72
ABCB11 O95342 1/20 0.72
APP P05067 1/20 0.72
CHRM2 P08172 1/20 0.72
ABCB1 P08183 1/20 0.72
CYP3A4 P08684 1/20 0.72
CHRM5 P08912 1/20 0.72
ADRA2A P08913 1/20 0.72
CHRM1 P11229 1/20 0.72
ADRA2C P18825 1/20 0.72
DRD4 P21917 1/20 0.72
SLC6A2 P23975 1/20 0.72
MAOB P27338 1/20 0.72
AGTR1 P30556 1/20 0.72
ADRA1A P35348 1/20 0.72

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
SCHEMBL12937750 0.91 BCHE (0.70) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL8281051 0.91 BCHE (0.66) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL4934899 0.89 BCHE (0.85) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL4554589 0.89 BCHE (0.85) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL31052915 0.89 BCHE (0.85) BCHEACHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4929197 0.88 BCHE (0.85) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL14242699 0.87 BCHE (0.72) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL678139 0.87 BCHE (0.69) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL676836 0.87 BCHE (0.69) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL676837 0.87 BCHE (0.69) BCHEACHEFAAHABCC4CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009011412-A2 COMBINATION OF AMPA RECEPTOR ANTAGONISTS AND ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 WO disclosed
EP-1992616-A1 Process for the preparation of donepezil and intermediate compounds thereof as well as hydrates of donepezil Pliva Hrvastka D.O.O. (HR) 2008-11-19 EP disclosed
WO-2007015052-A1 PROCESS FOR THE PREPARATION OF DONEPEZIL AND INTERMEDIATE COMPOUNDS THEREOF AS WELL AS HYDRATES OF DONEPEZIL PLIVA ISTRAZIVANJE I RAZVOJ D.O.O. (HR) 2007-02-08 WO disclosed
WO-2006107860-A2 DIHYDROPYRIDINE COMPOUNDS AND COMPOSITIONS FOR HEADACHES EISAI CO., LTD. (JP) 2006-10-12 WO disclosed
WO-2004034963-A2 METHODS AND COMPOSITIONS USING CHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 2004-04-29 WO disclosed
WO-2003092606-A2 CHOLINESTERASE INHIBITORS TO PREVENT INJURIES CAUSED BY CHEMICALS EISAI CO., LTD. (JP) 2003-11-13 WO disclosed
WO-2003024450-A1 METHODS FOR TREATING PRION DISEASES EISAI CO., LTD. (JP) 2003-03-27 WO disclosed
WO-2003024456-A1 METHODS FOR TREATING AND PREVENTING MIGRAINES EISAI CO., LTD. (JP) 2003-03-27 WO disclosed