SCHEMBL7427475

SCHEMBL7427475

[CH2]C[C@H](C)CC(=O)N(C1CCCNCC1=O)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.38
PSEN2 P49810 8/20 0.38
APH1B Q8WW43 8/20 0.38
NCSTN Q92542 8/20 0.38
APH1A Q96BI3 8/20 0.38
PSENEN Q9NZ42 8/20 0.38
KCNA5 P22460 2/20 0.34
CTSK P43235 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TRPA1 O75762 2/20 0.32
ALDH1A1 P00352 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL4766702 0.91 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4763001 0.90 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6592501 0.84 MAPT (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7434329 0.84 KCNA5 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7431793 0.82 KCNA5 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4907052 0.81
SCHEMBL6592307 0.81 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6591386 0.80 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4767027 0.80 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7563297 0.80 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 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