SCHEMBL7008743

SCHEMBL7008743

CC(C)CC(C(=O)N(C)C1N=C(c2ccc(C(F)(F)F)cc2)c2ccccc2NC1=O)C1(C(N)=O)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 5/20 0.44
CCKBR P32239 5/20 0.44
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
NOTCH1 P46531 6/20 0.39
NOTCH3 Q9UM47 3/20 0.39
RBPJ Q06330 3/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7005901 0.92 CCKAR (0.44) CCKARCCKBRPSEN1PSEN2APH1B
SCHEMBL7003908 0.90 CCKBR (0.44) CCKARCCKBRNOTCH1NOTCH3RBPJ
SCHEMBL7009892 0.89 CCKBR (0.43) CCKARCCKBRNOTCH1NOTCH3RBPJ
SCHEMBL7011891 0.88 CCKBR (0.44) CCKARCCKBRNOTCH1NOTCH3RBPJ
SCHEMBL7012796 0.82 CCKBR (0.44) CCKARCCKBRNOTCH1NOTCH3RBPJ
SCHEMBL4159805 0.74 PSEN1 (0.67) CCKARCCKBRPSEN1PSEN2APH1B
SCHEMBL13904794 0.74 PSEN1 (0.67) CCKARCCKBRPSEN1PSEN2APH1B
SCHEMBL7012788 0.74 PSEN1 (0.37) CCKARCCKBRPSEN1PSEN2APH1B
SCHEMBL7013368 0.72 CCKBR (0.49) CCKARCCKBRNOTCH1RBPJMEN1
SCHEMBL7007597 0.72 CCKBR (0.43) CCKARCCKBR

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-1268450-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
WO-2001092235-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF Aβ PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-06 WO disclosed