SCHEMBL1005088

SCHEMBL1005088

Fc1ccccc1C1(C(F)(F)F)CCOCC(NC2OCCC(c3ccccc3F)(C(F)(F)F)NC2=S)=N1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.33

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
SCHEMBL1005087 0.78 BACE1 (0.42) BACE1
SCHEMBL361206 0.73 PDK2 (0.31)
SCHEMBL361698 0.71 BACE1 (0.51) BACE1
SCHEMBL361964 0.69 PGR (0.33)
SCHEMBL8514606 0.58 BACE1 (0.56) BACE1
Hydrochloric Acid SCHEMBL8514073 0.58 BACE1 (0.56) BACE1
SCHEMBL12696388 0.56 BACE1 (0.52) BACE1
Hydrochloric Acid SCHEMBL8514068 0.54 BACE1 (0.58) BACE1
SCHEMBL360714 0.54 BACE1 (0.53) BACE1
SCHEMBL17068974 0.52 BACE1 (0.43) BACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP disclosed
WO-2011009943-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-01-27 WO disclosed