SCHEMBL17620357

SCHEMBL17620357

Nc1nc2ccc(-c3ccccc3)cc2cc1CCC(=O)NCC1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.78
▸ CTSD P07339 1/20 0.50
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ENPP2 Q13822 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL17620328 0.91 BACE1 (0.71) BACE1CTSDMEN1KMT2A
SCHEMBL17620293 0.91 BACE1 (0.70) BACE1CTSDMEN1KMT2A
SCHEMBL17620307 0.90 BACE1 (0.69) BACE1CTSD
SCHEMBL17620296 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL17620344 0.88 BACE1 (0.80) BACE1CTSD
SCHEMBL13871 0.88 BACE1 (0.80) BACE1CTSDENPP2KMT2A
SCHEMBL17620285 0.88 BACE1 (0.83) BACE1CTSD
SCHEMBL17620346 0.86 BACE1 (0.81) BACE1CTSDMEN1KMT2A
SCHEMBL17620306 0.85 BACE1 (0.79) BACE1CTSD
SCHEMBL17620298 0.85 BACE1 (0.77) 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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