SCHEMBL7957375

SCHEMBL7957375

Bc1ccc2c(c1)C1(CC3(CCCC3)O2)N=C(N)N(C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.56
CTSD P07339 19/20 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
SCHEMBL7955228 0.99 BACE1 (0.57) BACE1CTSD
SCHEMBL7963570 0.92 BACE1 (0.54) BACE1CTSD
SCHEMBL7959316 0.90 BACE1 (0.51) BACE1CTSD
SCHEMBL7958963 0.90 BACE1 (0.55) BACE1CTSD
SCHEMBL7958222 0.87 BACE1 (0.74) BACE1CTSD
SCHEMBL7948862 0.86 BACE1 (0.73) BACE1CTSD
SCHEMBL7957379 0.86 BACE1 (0.73) BACE1CTSD
SCHEMBL7948774 0.85 BACE1 (0.76) BACE1CTSD
SCHEMBL7948012 0.85 BACE1 (0.41) BACE1CTSD
SCHEMBL7959831 0.83 BACE1 (0.75) 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-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 WO disclosed