SCHEMBL8283286

SCHEMBL8283286

N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(Br)cs2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.56
CTSD P07339 14/20 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
SCHEMBL5667606 1.00 BACE1 (0.56) BACE1CTSD
SCHEMBL5667119 0.84 BACE1 (0.54) BACE1CTSD
SCHEMBL8282829 0.84 BACE1 (0.54) BACE1CTSD
SCHEMBL5743065 0.83 BACE1 (0.70) BACE1CTSD
SCHEMBL8282541 0.82 BACE1 (0.82) BACE1CTSD
SCHEMBL5666242 0.82 BACE1 (0.82) BACE1CTSD
SCHEMBL5670840 0.82 BACE1 (0.57) BACE1CTSD
SCHEMBL8283519 0.81 BACE1 (0.48) BACE1CTSD
SCHEMBL8282687 0.80 BACE1 (0.55) BACE1CTSD
SCHEMBL8281816 0.80 BACE1 (0.44) 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-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