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SCHEMBL14601892

SCHEMBL14601892

C[C@H](OC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 20/20 0.87
▸ PSEN2 P49810 20/20 0.87
▸ APH1B Q8WW43 20/20 0.87
▸ NCSTN Q92542 20/20 0.87
▸ APH1A Q96BI3 20/20 0.87
▸ PSENEN Q9NZ42 20/20 0.87

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
SCHEMBL14601890 0.97 PSEN1 (0.90) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14601876 0.93 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8288868 0.93 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14601886 0.93 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14601885 0.93 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8287767 0.89 PSEN1 (0.86) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14601891 0.88 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5619537 0.88 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14601889 0.86 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14076981 0.85 PSEN1 (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166587-B2 Carbamic acid alkyl ester derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 — — US disclosed
US-7166587-B2 Carbamic acid alkyl ester derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 — — US disclosed