SCHEMBL13595162

SCHEMBL13595162

CC(O)c1cc2c(cc1CO)CC(CC1CCN(Cc3ccccc3)CC1)C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.63
ACHE P22303 4/20 0.63
FAAH O00519 1/20 0.63
ABCC4 O15439 1/20 0.63
CACNA1F O60840 1/20 0.63
PDE5A O76074 1/20 0.63
ABCB11 O95342 1/20 0.63
APP P05067 1/20 0.63
CHRM2 P08172 1/20 0.63
ABCB1 P08183 1/20 0.63
CYP3A4 P08684 1/20 0.63
CHRM5 P08912 1/20 0.63
ADRA2A P08913 1/20 0.63
CHRM1 P11229 1/20 0.63
ADRA2C P18825 1/20 0.63
DRD4 P21917 1/20 0.63
SLC6A2 P23975 1/20 0.63
MAOB P27338 1/20 0.63
AGTR1 P30556 1/20 0.63
ADRA1A P35348 1/20 0.63

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
SCHEMBL678139 0.88 BCHE (0.69) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL676837 0.88 BCHE (0.69) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL676836 0.88 BCHE (0.69) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL6867659 0.88 BCHE (0.69) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL13144547 0.84 BCHE (0.82) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL8281051 0.84 BCHE (0.66) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL24390900 0.83 BCHE (0.74) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL14539983 0.83 BCHE (0.70) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL14485424 0.81 BCHE (0.90) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL6276198 0.80 BCHE (0.86) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2130538-A1 Use of a cholinesterase inhibitor for the delaying the onset of Alzheimer's disease Eisai R&D Management Co., Ltd. (JP) 2009-12-09 EP disclosed