SCHEMBL14601901

SCHEMBL14601901

C[C@H](OC(=O)NCCC(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.52
PSEN2 P49810 9/20 0.52
APH1B Q8WW43 9/20 0.52
NCSTN Q92542 9/20 0.52
APH1A Q96BI3 9/20 0.52
PSENEN Q9NZ42 9/20 0.52
NOTCH1 P46531 7/20 0.40
NOTCH3 Q9UM47 4/20 0.40
RBPJ Q06330 3/20 0.38
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CCKAR P32238 1/20 0.34
CCKBR P32239 1/20 0.34

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
SCHEMBL14601899 0.87 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14601887 0.81 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8288876 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8191304 0.80 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4059090 0.79 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3943178 0.79 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3937666 0.79 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14076997 0.79 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18634753 0.79 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13791825 0.77 PSEN1 (0.57) 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