SCHEMBL1617962

SCHEMBL1617962

CCc1ccccc1C1CNCc2cnc(Nc3ccc(-n4cnc(C)c4)c(OC)c3)nc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.49
PSEN2 P49810 20/20 0.49
APH1B Q8WW43 20/20 0.49
NCSTN Q92542 20/20 0.49
APH1A Q96BI3 20/20 0.49
PSENEN Q9NZ42 20/20 0.49

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
SCHEMBL1616848 0.88 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1727451 0.88 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1617060 0.87 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1617481 0.86 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617087 0.77 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616929 0.77 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1726334 0.75 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616847 0.75 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617265 0.75 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617348 0.75 PSEN1 (0.55) 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