SCHEMBL7483243

SCHEMBL7483243

CCCC[C@H](O)[C@@H](CC1CC1)C(=O)C1(N)N=C(c2cc(C(F)(F)F)ccn2)c2ccccc2N(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.34
PSEN2 P49810 9/20 0.34
APH1B Q8WW43 9/20 0.34
NCSTN Q92542 9/20 0.34
APH1A Q96BI3 9/20 0.34
PSENEN Q9NZ42 9/20 0.34
NOTCH1 P46531 4/20 0.34
NOTCH3 Q9UM47 3/20 0.34
GLS O94925 2/20 0.32
CCKBR P32239 3/20 0.31
RBPJ Q06330 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CCKAR P32238 2/20 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
SCHEMBL7487031 0.91 CCKBR (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7598317 0.88 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7486538 0.88 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7482520 0.88 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7484257 0.88 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7485394 0.86 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7485500 0.85 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7492663 0.85 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7259727 0.83 NOTCH1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6385267 0.82 NOTCH1 (0.39) 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
EP-1212306-A2 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-12 EP disclosed
WO-2001019797-A2 HYDROXYALKANOYL AMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2001-03-22 WO disclosed