SCHEMBL6675008

SCHEMBL6675008

NC(=O)C(C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL6205924 0.83 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6591806 0.83 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6592546 0.82 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6590028 0.82 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5096405 0.82 CTSK (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6587856 0.81 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6589088 0.80 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4762955 0.80 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4765366 0.79 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6604194 0.79 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed