SCHEMBL8306466

SCHEMBL8306466

CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)CNC4CCCC4)cc13)N(C)S(=O)(=O)CC2

nearest known ligand 0.99

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.99
CTSD P07339 19/20 0.99
BACE2 Q9Y5Z0 19/20 0.99

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
SCHEMBL5930522 1.00 BACE1 (0.99) BACE1CTSDBACE2
SCHEMBL5930035 0.99 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL5929977 0.99 BACE1 (0.96) BACE1CTSDBACE2
SCHEMBL5930405 0.97 BACE1 (1.00) BACE1CTSDBACE2
Formic Acid SCHEMBL5930118 0.97 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL5930276 0.94 BACE1 (0.91) BACE1CTSDBACE2
Formic Acid SCHEMBL5930264 0.94 BACE1 (0.94) BACE1CTSDBACE2
SCHEMBL5930228 0.94 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL5930234 0.93 BACE1 (0.88) BACE1CTSDBACE2
SCHEMBL5930004 0.92 BACE1 (1.00) BACE1CTSDBACE2

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-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 WO disclosed