SCHEMBL21442318

SCHEMBL21442318

CC(C)(C)[S@@+]([O-])NC(CCO)(c1nc(Br)ccc1F)C(F)F

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.46

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
SCHEMBL15991675 1.00 BACE1 (0.46) BACE1
SCHEMBL15991228 1.00 BACE1 (0.46) BACE1
SCHEMBL15991231 1.00 BACE1 (0.46) BACE1
SCHEMBL15991676 1.00 BACE1 (0.46) BACE1
SCHEMBL15991229 1.00 BACE1 (0.46) BACE1
SCHEMBL15991245 0.84 BACE1 (0.36) BACE1
SCHEMBL15991242 0.84 BACE1 (0.36) BACE1
SCHEMBL15991247 0.84 BACE1 (0.36) BACE1
SCHEMBL15991009 0.84 BACE1 (0.44) BACE1
SCHEMBL21442321 0.84 BACE1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961749-B1 PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2019-10-09 — — EP disclosed
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