SCHEMBL8367140

SCHEMBL8367140

CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H](CN[C@@H](C)C(=O)NCC(C)C)Cc2cc(F)cc(F)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.80
BACE2 Q9Y5Z0 17/20 0.80

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
Hydrochloric Acid SCHEMBL6295174 0.99 BACE1 (0.79) BACE1BACE2
SCHEMBL6294127 0.94 BACE1 (0.71) BACE1BACE2
SCHEMBL6294154 0.90 BACE1 (0.66) BACE1BACE2
SCHEMBL8365141 0.90 BACE1 (0.81) BACE1BACE2
SCHEMBL4411330 0.89 BACE1 (1.00) BACE1BACE2
SCHEMBL5356086 0.89 BACE1 (1.00) BACE1BACE2
SCHEMBL5344973 0.89 BACE1 (1.00) BACE1BACE2
Hydrochloric Acid SCHEMBL6294178 0.89 BACE1 (0.80) BACE1BACE2
SCHEMBL6295287 0.87 BACE1 (0.62) BACE1BACE2
Hydrochloric Acid SCHEMBL6294176 0.86 BACE1 (0.61) BACE1BACE2

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