SCHEMBL16166376

SCHEMBL16166376

CC(C)(C)[S@@+]([O-])N[C@@](C)(CC=O)c1nc(Br)ccc1Cl.CC(C)(C)[S@@+]([O-])N[C@@](C)(C[C@H](O[Si](C)(C)C)C(F)(F)F)c1nc(Br)ccc1Cl

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.31

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
SCHEMBL16166022 0.93 BACE1 (0.32) BACE1
SCHEMBL17511226 0.93 BACE1 (0.32) BACE1
SCHEMBL16166021 0.93 BACE1 (0.32) BACE1
SCHEMBL17511227 0.93 BACE1 (0.32) BACE1
SCHEMBL16166378 0.87 — —
SCHEMBL16166148 0.86 BACE1 (0.32) BACE1
SCHEMBL16166146 0.86 BACE1 (0.32) BACE1
SCHEMBL16166150 0.86 BACE1 (0.32) BACE1
SCHEMBL30088443 0.86 BACE1 (0.32) BACE1
SCHEMBL16166100 0.82 BACE1 (0.34) 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-2984086-A1 BACE1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2016-02-17 — — EP disclosed
WO-2014166906-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-16 — — WO disclosed
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