SCHEMBL7425904

SCHEMBL7425904

O=C1CNCCC[C@@H]1N(C(=O)[CH]CC1CCCCC1)S(=O)(=O)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.37
PSEN2 P49810 5/20 0.37
APH1B Q8WW43 5/20 0.37
NCSTN Q92542 5/20 0.37
APH1A Q96BI3 5/20 0.37
PSENEN Q9NZ42 5/20 0.37
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
PGGT1B P53609 2/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
RECQL P46063 1/20 0.32
CTSK P43235 4/20 0.32
CTSL P07711 3/20 0.32
CTSS P25774 3/20 0.32
BMP1 P13497 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7424005 0.89 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4765022 0.86 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7010659 0.86 CTSK (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4761916 0.85 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6215829 0.85 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7007933 0.85 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6073096 0.84 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4765368 0.83 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6206759 0.82 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7427449 0.82 PSEN1 (0.32) 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