SCHEMBL8282127

SCHEMBL8282127

CC(C)(C)Cc1ccc2c(c1)C(NCC(O)C(C=O)Cc1cc(F)cc(F)c1)CCC2

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.73
CTSD P07339 18/20 0.73

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
SCHEMBL2875023 0.89 BACE1 (0.77) BACE1CTSD
SCHEMBL13316062 0.86 BACE1 (0.73) BACE1CTSD
SCHEMBL5714004 0.86 BACE1 (0.73) BACE1CTSD
SCHEMBL5714190 0.86 BACE1 (0.73) BACE1CTSD
Hydrochloric Acid SCHEMBL6328149 0.85 BACE1 (0.72) BACE1CTSD
SCHEMBL5714358 0.85 BACE1 (0.77) BACE1CTSD
SCHEMBL5714352 0.85 BACE1 (0.77) BACE1CTSD
SCHEMBL6325626 0.85 BACE1 (0.77) BACE1CTSD
SCHEMBL13315996 0.84 BACE1 (1.00) BACE1CTSD
SCHEMBL8277517 0.84 BACE1 (1.00) BACE1CTSD

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-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed