Sugi Predict

Sugi Predict / Compounds / SCHEMBL8364398

SCHEMBL8364398

SCHEMBL8364398

CCCN(CCC)C(=O)c1cc(C(N)=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H](C)C(=O)NCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 19/20 0.59
▸ CTSD P07339 9/20 0.59
▸ APP P05067 3/20 0.57
▸ BACE2 Q9Y5Z0 2/20 0.54

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
SCHEMBL8363982 0.94 BACE1 (0.64) BACE1CTSDAPPBACE2
SCHEMBL8362729 0.92 BACE1 (0.58) BACE1CTSDAPPBACE2
SCHEMBL8363422 0.92 BACE1 (0.59) BACE1CTSDAPPBACE2
SCHEMBL5834352 0.92 BACE1 (0.62) BACE1CTSDAPPBACE2
SCHEMBL8364731 0.92 BACE1 (0.58) BACE1CTSDAPPBACE2
SCHEMBL8363495 0.86 BACE1 (0.61) BACE1CTSDAPPBACE2
SCHEMBL5833797 0.86 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL6076482 0.86 BACE1 (0.60) BACE1CTSDAPPBACE2
SCHEMBL6076472 0.86 BACE1 (0.60) BACE1CTSDAPPBACE2
SCHEMBL8361151 0.86 BACE1 (0.62) BACE1CTSDAPPBACE2

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-2003006453-A1 AMINEDIOLS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 — — WO disclosed