SCHEMBL17620354

SCHEMBL17620354

Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NCC3CCCCO3)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.78
CTSD P07339 1/20 0.63
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL17620365 0.97 BACE1 (0.77) BACE1CTSDHPGDSMN1; SMN2
SCHEMBL17620296 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL17620308 0.86 BACE1 (0.84) BACE1CTSD
SCHEMBL9058 0.83 BACE1 (1.00) BACE1CTSD
SCHEMBL8630 0.83 BACE1 (0.84) BACE1CTSD
SCHEMBL17620283 0.82 BACE1 (0.83) BACE1CTSD
SCHEMBL17620360 0.81 BACE1 (0.77) BACE1CTSD
SCHEMBL8871 0.79 BACE1 (0.73) BACE1CTSD
SCHEMBL17620314 0.79 BACE1 (0.82) BACE1CTSD
SCHEMBL17620285 0.79 BACE1 (0.83) 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