SCHEMBL7424733

SCHEMBL7424733

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.44
PSEN2 P49810 19/20 0.44
APH1B Q8WW43 19/20 0.44
NCSTN Q92542 19/20 0.44
APH1A Q96BI3 19/20 0.44
PSENEN Q9NZ42 19/20 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
SCHEMBL7434320 0.89 KCNA5 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6602697 0.82 CTSK (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6591381 0.82 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7434860 0.82 KCNA5 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7426764 0.82 KCNA5 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4762983 0.82 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4763000 0.81 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4761958 0.81 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4907047 0.81
SCHEMBL5096688 0.81 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed