SCHEMBL5074002

SCHEMBL5074002

CCCCCN(C)C(=O)c1cccc(C(=O)N[C@H]([CH]C(C)C(=O)Nc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.46
APP P05067 3/20 0.46
CTRC Q99895 1/20 0.40
CTSD P07339 1/20 0.40
ACACB O00763 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL5071380 0.94 BACE1 (0.50) BACE1APPCTRCCTSDACACB
SCHEMBL5073996 0.92 BACE1 (0.53) BACE1APPCTRCCTSDBACE2
SCHEMBL5069586 0.88 BACE1 (0.59) BACE1APPCTSDBACE2
SCHEMBL5069591 0.88 BACE1 (0.59) BACE1APPCTSDBACE2
SCHEMBL5072997 0.83 BACE1 (0.58) BACE1APPCTSDBACE2
SCHEMBL5073997 0.83 BACE1 (0.58) BACE1APPCTSDBACE2
SCHEMBL5071306 0.83 BACE1 (0.58) BACE1APPCTSDBACE2
SCHEMBL5073000 0.83 BACE1 (0.58) BACE1APPCTSDBACE2
SCHEMBL3434792 0.81 BACE1 (0.49) BACE1APPCTSDACACBLMNA
SCHEMBL5074005 0.81 BACE1 (0.46) BACE1APPACACBLMNAMEN1

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
EP-1685142-B1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed