SCHEMBL17620282

SCHEMBL17620282

CNC(=O)[C@H](C)Cc1cc2cc(-c3c(C)cccc3C(=O)N3CCCC3)ccc2nc1N

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.51
CTSD P07339 1/20 0.47

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
SCHEMBL17620332 1.00 BACE1 (0.51) BACE1CTSD
SCHEMBL8754 1.00 BACE1 (0.51) BACE1CTSD
SCHEMBL8654 0.92 BACE1 (0.52) BACE1CTSD
SCHEMBL11168 0.90 BACE1 (0.54) BACE1CTSD
SCHEMBL11077 0.89 BACE1 (0.68) BACE1CTSD
SCHEMBL9408 0.86 BACE1 (0.59) BACE1CTSD
SCHEMBL9071 0.83 BACE1 (0.72) BACE1CTSD
SCHEMBL1767940 0.79 BACE1 (0.42) BACE1CTSD
SCHEMBL2228735 0.79 GBA1 (0.42)
SCHEMBL2226685 0.78 GBA1 (0.42)

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