Sugi Predict

Sugi Predict / Compounds / SCHEMBL5193771

SCHEMBL5193771

SCHEMBL5193771

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)[C@H](O)COC(C)C2CCCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.64
▸ BACE2 Q9Y5Z0 4/20 0.58
▸ CTSD P07339 2/20 0.56
▸ CTSE P14091 1/20 0.55

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
SCHEMBL8358813 0.90 BACE1 (0.65) BACE1BACE2CTSDCTSE
SCHEMBL4827613 0.90 BACE1 (0.65) BACE1BACE2CTSDCTSE
SCHEMBL4825402 0.89 BACE1 (0.65) BACE1BACE2CTSDCTSE
SCHEMBL4829692 0.88 BACE1 (0.66) BACE1BACE2CTSDCTSE
SCHEMBL4827757 0.88 BACE1 (0.66) BACE1BACE2CTSDCTSE
SCHEMBL8354194 0.87 BACE1 (0.65) BACE1BACE2CTSDCTSE
SCHEMBL4829707 0.87 BACE1 (0.65) BACE1BACE2CTSDCTSE
SCHEMBL4822815 0.87 BACE1 (0.65) BACE1BACE2CTSDCTSE
SCHEMBL8354331 0.87 BACE1 (0.65) BACE1BACE2CTSDCTSE
SCHEMBL4829598 0.86 BACE1 (0.62) 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
EP-1453792-B1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2007-04-18 — — EP claimed