SCHEMBL8367408

SCHEMBL8367408

CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](CCC(C)C)CN[C@@H](C)C(=O)N[C@H](C(=O)NCC(C)C)C(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.57
BACE2 Q9Y5Z0 7/20 0.57
APP P05067 4/20 0.51
CTSD P07339 2/20 0.43
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL6294087 0.92 BACE1 (0.57) BACE1BACE2APPCTSDGAA
SCHEMBL6298730 0.92 BACE1 (0.57) BACE1BACE2APPCTSDGAA
SCHEMBL6298729 0.92 BACE1 (0.57) BACE1BACE2APPCTSDGAA
SCHEMBL6295359 0.89 BACE1 (0.59) BACE1BACE2APPCTSD
SCHEMBL6298866 0.87 BACE1 (0.52) BACE1BACE2APPCTSD
SCHEMBL6294127 0.87 BACE1 (0.71) BACE1BACE2APPCTSD
SCHEMBL6294154 0.81 BACE1 (0.66) BACE1BACE2APPCTSD
SCHEMBL8367140 0.79 BACE1 (0.80) BACE1BACE2
Hydrochloric Acid SCHEMBL6295174 0.79 BACE1 (0.79) BACE1BACE2
SCHEMBL14136382 0.78 BACE1 (0.82) BACE1BACE2APPCTSD

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-2003057721-A2 SUBSTITUTED AMINO CARBOXAMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-07-17 WO disclosed