SCHEMBL1617965

SCHEMBL1617965

CCN1CCc2nc(Nc3ccc(-n4cnc(C)c4)c(OC)c3)nc(-c3ccccc3)c2C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.54
PSEN2 P49810 20/20 0.54
APH1B Q8WW43 20/20 0.54
NCSTN Q92542 20/20 0.54
APH1A Q96BI3 20/20 0.54
PSENEN Q9NZ42 20/20 0.54

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
SCHEMBL1616849 0.88 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4091057 0.86 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2479398 0.81 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2472498 0.80 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2478673 0.79 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2453449 0.78 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4097886 0.78 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2482343 0.77 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2484321 0.77 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2479422 0.77 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed