SCHEMBL17620371

SCHEMBL17620371

Cc1ccccc1-c1ccc2nc(N)c(CC(C(=O)NCC3CCCCC3)C(C)C)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
CTSD P07339 1/20 0.50

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
SCHEMBL9288 0.91 BACE1 (1.00) BACE1CTSD
SCHEMBL17620305 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL17620329 0.87 BACE1 (0.80) BACE1CTSD
SCHEMBL17620327 0.87 BACE1 (1.00) BACE1CTSD
SCHEMBL17620296 0.84 BACE1 (1.00) BACE1CTSD
SCHEMBL14322112 0.83 BACE1 (1.00) BACE1CTSD
SCHEMBL14322116 0.83 BACE1 (1.00) BACE1CTSD
SCHEMBL14321494 0.82 BACE1 (0.82) BACE1
SCHEMBL13756 0.80 BACE1 (0.71) BACE1CTSD
SCHEMBL14321497 0.80 BACE1 (0.79) 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
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US claimed