SCHEMBL4371900

SCHEMBL4371900

CCN(CCCCCCNC1=CC(=O)C(NCCCN)=CC1=O)Cc1ccccc1OC

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.66
BCHE P06276 16/20 0.66
APP P05067 3/20 0.54
MAOB P27338 3/20 0.53
CHRM2 P08172 1/20 0.52

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
SCHEMBL4543965 0.98 ACHE (0.66) ACHEBCHEAPPMAOBCHRM2
Memoquin SCHEMBL4365745 0.95 ACHE (0.73) ACHEBCHEAPPMAOBCHRM2
Memoquin SCHEMBL29416823 0.95 ACHE (0.73) ACHEBCHEAPPMAOBCHRM2
SCHEMBL4373839 0.95 ACHE (0.73) ACHEBCHEAPPMAOBCHRM2
SCHEMBL13876832 0.95 ACHE (0.73) ACHEBCHEAPPMAOBCHRM2
SCHEMBL13876830 0.94 ACHE (0.71) ACHEBCHEAPPMAOBCHRM2
SCHEMBL4370571 0.90 BCHE (0.65) ACHEBCHEAPPMAOB
SCHEMBL4372983 0.90 ACHE (0.66) ACHEBCHEAPPMAOBCHRM2
SCHEMBL13890778 0.89 BCHE (0.65) ACHEBCHEAPPMAOB
SCHEMBL13706588 0.87 ACHE (0.67) ACHEBCHEAPPMAOBCHRM2

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
WO-2009034457-A1 ORGANIC COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES, USES AND METHODS FOR THE PREPARATION THEREOF ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA (IT) 2009-03-19 WO disclosed