SCHEMBL28409784

SCHEMBL28409784

COc1cc2c(cc1OC)C(=O)C(CC1CCNCC1)C2.[HH]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.61
BCHE P06276 6/20 0.59
FAAH O00519 1/20 0.59
ABCC4 O15439 1/20 0.59
CACNA1F O60840 1/20 0.59
PDE5A O76074 1/20 0.59
ABCB11 O95342 1/20 0.59
APP P05067 1/20 0.59
CHRM2 P08172 1/20 0.59
ABCB1 P08183 1/20 0.59
CYP3A4 P08684 1/20 0.59
CHRM5 P08912 1/20 0.59
ADRA2A P08913 1/20 0.59
CHRM1 P11229 1/20 0.59
ADRA2C P18825 1/20 0.59
DRD4 P21917 1/20 0.59
SLC6A2 P23975 1/20 0.59
MAOB P27338 1/20 0.59
AGTR1 P30556 1/20 0.59
ADRA1A P35348 1/20 0.59

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
SCHEMBL29550221 0.99 ACHE (0.63) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL1114944 0.99 ACHE (0.63) ACHEBCHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4833887 0.97 ACHE (0.61) ACHEBCHEFAAHABCC4CACNA1F
Acetic Acid SCHEMBL29374009 0.93 ACHE (0.60) ACHEBCHEFAAHABCC4CACNA1F
Acetic Acid SCHEMBL27493902 0.93 ACHE (0.60) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL13317859 0.90 ACHE (0.54) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL14156625 0.90 ACHE (0.54) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL4198622 0.86 ACHE (0.56) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL14215561 0.85 ACHE (0.80) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL5442562 0.84 ACHE (0.61) ACHEBCHEFAAHABCC4CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651234-B Synthesis method of donepezil hydrochloride 山东罗欣药业集团股份有限公司 2021-01-01 CN disclosed
CN-109354580-B Preparation method of donepezil hydrochloride 山东罗欣药业集团股份有限公司 2020-08-07 CN disclosed
CN-111100062-A Synthesis method of donepezil hydrochloride 山东罗欣药业集团恒欣药业有限公司 2020-05-05 CN disclosed