SCHEMBL15510046

SCHEMBL15510046

NC1=N[C@@]2(CO1)c1cc(Br)ccc1Oc1ccc(CC(=O)O)cc12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.46
KCNH2 Q12809 2/20 0.46
CTSD P07339 2/20 0.41

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
SCHEMBL15509891 1.00 BACE1 (0.46) BACE1KCNH2CTSD
SCHEMBL1994871 0.85 BACE1 (0.48) BACE1KCNH2CTSD
SCHEMBL1994874 0.85 BACE1 (0.48) BACE1KCNH2CTSD
SCHEMBL6845317 0.83 BACE1 (0.69) BACE1KCNH2CTSD
SCHEMBL13401364 0.81 BACE1 (0.50) BACE1KCNH2CTSD
SCHEMBL1994275 0.80 BACE1 (0.49) BACE1CTSD
SCHEMBL1998989 0.80 BACE1 (0.49) BACE1CTSD
SCHEMBL1994274 0.80 BACE1 (0.49) BACE1CTSD
SCHEMBL15510367 0.80 BACE1 (0.62) BACE1KCNH2CTSD
SCHEMBL13383464 0.79 BACE1 (0.54) 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
EP-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed