SCHEMBL18926441

SCHEMBL18926441

CC1=NC(c2cc(-c3cncc(C(F)(F)F)c3)ccc2C)(C2(C)CCC(OC(F)F)CC2)N=C1N

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.75
APP P05067 14/20 0.75

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
SCHEMBL9948253 0.86 BACE1 (1.00) BACE1APP
SCHEMBL9948256 0.86 BACE1 (1.00) BACE1APP
SCHEMBL21654395 0.84 BACE1 (0.65) BACE1APP
SCHEMBL21654350 0.77 BACE1 (0.60) BACE1APP
SCHEMBL21654422 0.77 BACE1 (0.73) BACE1APP
SCHEMBL9948505 0.76 BACE1 (1.00) BACE1APP
SCHEMBL9948501 0.76 BACE1 (1.00) BACE1APP
SCHEMBL9948667 0.76 BACE1 (1.00) BACE1APP
SCHEMBL18926449 0.74 BACE1 (0.63) BACE1APP
SCHEMBL18561440 0.74 BACE1 (0.74) BACE1APP

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-3176172-A1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS Astrazeneca AB (SE) 2017-06-07 EP disclosed