SCHEMBL4829598

SCHEMBL4829598

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)[C@H](O)COCCC2CCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.62
BACE2 Q9Y5Z0 2/20 0.56

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
SCHEMBL4827721 0.99 BACE1 (0.63) BACE1BACE2
SCHEMBL4827757 0.92 BACE1 (0.66) BACE1BACE2
SCHEMBL4829707 0.92 BACE1 (0.65) BACE1BACE2
SCHEMBL8354194 0.92 BACE1 (0.65) BACE1BACE2
SCHEMBL14541382 0.91 BACE1 (0.64) BACE1BACE2
SCHEMBL8354841 0.90 BACE1 (0.65) BACE1BACE2
SCHEMBL14156557 0.89 BACE1 (0.63) BACE1BACE2
SCHEMBL4829721 0.89 BACE1 (0.63) BACE1BACE2
SCHEMBL8356655 0.89 BACE1 (0.64) BACE1BACE2
SCHEMBL4823649 0.89 BACE1 (0.64) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388118-B2 Amine 1,2- and 1,3-diol compounds PHAMACIA & UPJOHN COMPANY LLC (US) 2008-06-17 US claimed
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
US-7388118-B2 Amine 1,2- and 1,3-diol compounds PHAMACIA & UPJOHN COMPANY LLC (US) 2008-06-17 US disclosed
US-7388118-B2 Amine 1,2- and 1,3-diol compounds PHAMACIA & UPJOHN COMPANY LLC (US) 2008-06-17 US disclosed
US-7388118-B2 Amine 1,2- and 1,3-diol compounds PHAMACIA & UPJOHN COMPANY LLC (US) 2008-06-17 US disclosed
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 disclosed
WO-2003043975-A1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed