SCHEMBL5735925

SCHEMBL5735925

NC(=O)CC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cc(Br)sc2Br)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.44
CTSD P07339 15/20 0.44

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
SCHEMBL5735374 0.85 BACE1 (0.54) BACE1CTSD
SCHEMBL5669623 0.85 BACE1 (0.44) BACE1CTSD
SCHEMBL8281816 0.85 BACE1 (0.44) BACE1CTSD
SCHEMBL5735085 0.83 BACE1 (0.55) BACE1CTSD
SCHEMBL8283510 0.82 BACE1 (0.66) BACE1CTSD
SCHEMBL5669380 0.82 BACE1 (0.66) BACE1CTSD
SCHEMBL5735885 0.79 BACE1 (0.55) BACE1CTSD
SCHEMBL6040984 0.78 CTSD (0.57) BACE1CTSD
SCHEMBL8281522 0.78 CTSD (0.57) BACE1CTSD
SCHEMBL5667091 0.78 BACE1 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734942-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed