SCHEMBL17620345

SCHEMBL17620345

Cc1ncccc1-c1ccc2nc(N)c(CCC(=O)NCC3CCCCC3)cc2c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.79
▸ CTSD P07339 4/20 0.53
▸ PANK1 Q8TE04 1/20 0.46
▸ PANK3 Q9H999 1/20 0.46
▸ ENPP2 Q13822 1/20 0.44

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
SCHEMBL17620296 0.89 BACE1 (1.00) BACE1CTSD
SCHEMBL17620310 0.88 BACE1 (0.77) BACE1CTSDPANK1PANK3ENPP2
SCHEMBL17620344 0.87 BACE1 (0.80) BACE1CTSD
SCHEMBL17620285 0.87 BACE1 (0.83) BACE1CTSD
SCHEMBL17620346 0.85 BACE1 (0.81) BACE1CTSD
SCHEMBL13871 0.85 BACE1 (0.80) BACE1CTSDENPP2
SCHEMBL17620306 0.84 BACE1 (0.79) BACE1CTSD
SCHEMBL17620342 0.84 BACE1 (0.79) BACE1CTSD
SCHEMBL17620357 0.84 BACE1 (0.78) BACE1CTSDENPP2
SCHEMBL17620307 0.83 BACE1 (0.69) 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
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