SCHEMBL3663677

SCHEMBL3663677

COc1cc(Nc2nc3c(s2)CCCC3c2ccccc2)ccc1C#N.O=C(OC(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.82
PSEN2 P49810 20/20 0.82
APH1B Q8WW43 20/20 0.82
NCSTN Q92542 20/20 0.82
APH1A Q96BI3 20/20 0.82
PSENEN Q9NZ42 20/20 0.82

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
SCHEMBL1617528 0.91 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617285 0.80 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL966134 0.78 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616426 0.78 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8038462 0.78 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964213 0.78 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL963145 0.77 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617464 0.74 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617169 0.74 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964763 0.73 PSEN1 (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed