Sugi Predict

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SCHEMBL8358708

SCHEMBL8358708

O=C(NCc1ccc(C(F)(F)F)cc1)OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 15/20 0.80
▸ PSEN2 P49810 15/20 0.80
▸ APH1B Q8WW43 15/20 0.80
▸ NCSTN Q92542 15/20 0.80
▸ APH1A Q96BI3 15/20 0.80
▸ PSENEN Q9NZ42 15/20 0.80
▸ AVPR1A P37288 1/20 0.55
▸ AVPR1B P47901 1/20 0.55
▸ APP P05067 5/20 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
SCHEMBL8354702 0.93 PSEN1 (0.88) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8359145 0.89 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12463024 0.88 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8357246 0.88 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8355014 0.87 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8357243 0.86 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8358717 0.84 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8359134 0.84 PSEN1 (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8358699 0.83 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8359139 0.83 PSEN1 (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003014075-A2 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2003-02-20 — — WO disclosed