SCHEMBL6204977

SCHEMBL6204977

CC(C)(C[CH]C(=O)N([C@@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1)C(N)=O

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
SCHEMBL6206759 1.00 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6213210 0.86
SCHEMBL7424005 0.86 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4762955 0.85 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4761916 0.84 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4765022 0.83 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7425904 0.82 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6203188 0.82 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4766828 0.82 NPC1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6590028 0.82 PSEN1 (0.31) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401453-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-04-06 EP claimed
EP-1401453-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP claimed
WO-2002092563-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-11-21 WO claimed