SCHEMBL8324368

SCHEMBL8324368

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC[C@@H](O)CCN)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.45
BACE2 Q9Y5Z0 5/20 0.45
F2 P00734 1/20 0.44
CTSD P07339 3/20 0.42
NTRK2 Q16620 1/20 0.40

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
SCHEMBL8361174 0.86 BACE1 (0.46) BACE1BACE2CTSDNTRK2
SCHEMBL8320359 0.80 NTRK2 (0.51) BACE1BACE2F2NTRK2
SCHEMBL8322037 0.78 BACE1 (0.39) BACE1BACE2F2CTSDNTRK2
SCHEMBL8322069 0.77 BACE1 (0.44) BACE1BACE2CTSD
SCHEMBL13930094 0.76 BACE1 (0.60) BACE1
SCHEMBL5579146 0.74 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL5367552 0.74 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL5633480 0.74 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL2961346 0.74 BACE1 (0.57) BACE1BACE2CTSD
SCHEMBL14141210 0.73 TP53 (0.50) BACE1BACE2F2CTSD

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-2004058686-A1 HYDROXYPROPYL AMIDES FOR THE TREATMENT OF ALZHEIMER’S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed