SCHEMBL4770009

SCHEMBL4770009

[CH2]CCCCC(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
BMP1 P13497 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL6589088 0.92 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6587856 0.87 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6592546 0.84 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4761974 0.84 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6592307 0.84 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6586781 0.80 HTR1A (0.42)
SCHEMBL7424005 0.80 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4765366 0.79 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4765022 0.78 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7425904 0.77 PSEN1 (0.37) 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-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
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed