SCHEMBL2780707

SCHEMBL2780707

CC(C)CN(C1CCCCNC1=O)S(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.55
PSEN2 P49810 20/20 0.55
APH1B Q8WW43 20/20 0.55
NCSTN Q92542 20/20 0.55
APH1A Q96BI3 20/20 0.55
PSENEN Q9NZ42 20/20 0.55

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
SCHEMBL2779796 0.86 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7744117 0.79 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5516738 0.77 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5525825 0.77 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7094607 0.77 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2782997 0.75 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8251763 0.72 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5519952 0.71 PSEN1 (0.89) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5509323 0.71 PSEN1 (0.89) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5562869 0.71 PSEN1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575914-B1 AROMATIC DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS TAIMED BIOLOG INC (TW) 2013-10-16 EP disclosed
EP-2258680-A2 Aromatic derivatives as HIV aspartyl protease inhibitors Ambrilia Biopharma Inc. (CA) 2010-12-08 EP disclosed
EP-2258681-A2 Aromatic Derivatives as HIV Aspartyl Protease Inhibitors Ambrilia Biopharma Inc. (CA) 2010-12-08 EP disclosed
US-6632816-B1 Aromatic derivatives as HIV aspartyl protease inhibitors PHARMACOR INC. (CA) 2003-10-14 US disclosed