SCHEMBL5227670

SCHEMBL5227670

CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CNC1(c2cccc(Cc3ccccc3F)c2)CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.79
CTSD P07339 5/20 0.76

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
SCHEMBL3171235 1.00 BACE1 (0.79) BACE1CTSD
SCHEMBL5670560 1.00 BACE1 (0.79) BACE1CTSD
SCHEMBL3181853 0.89 BACE1 (0.82) BACE1CTSD
SCHEMBL5234183 0.89 BACE1 (0.82) BACE1CTSD
SCHEMBL5670766 0.89 BACE1 (0.82) BACE1CTSD
SCHEMBL3182089 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL3167478 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL5670496 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL3167469 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL3167797 0.88 BACE1 (1.00) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565443-A4 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES ELAN PHARM INC (US) 2007-07-18 EP disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
EP-1565443-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES Elan Pharmaceuticals, Inc. (US) 2005-08-24 EP disclosed
WO-2004024081-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES ELAN PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed