SCHEMBL6592497

SCHEMBL6592497

CC(C)CCN(C(=O)C(N)=O)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.39
PSEN2 P49810 9/20 0.39
APH1B Q8WW43 9/20 0.39
NCSTN Q92542 9/20 0.39
APH1A Q96BI3 9/20 0.39
PSENEN Q9NZ42 9/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNA5 P22460 1/20 0.32
MCL1 Q07820 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CTSK P43235 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL4768704 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6609709 0.84 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6637135 0.81 SLC6A2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4763001 0.79 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4763000 0.77 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7563297 0.77 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6592501 0.77 MAPT (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7427475 0.76 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6591386 0.70 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4767027 0.70 PSEN1 (0.41) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed