SCHEMBL6948349

SCHEMBL6948349

CC(C)CCC(=O)NC1(C(=O)NC2N=C(CC(C)(C)C)c3ccccc3NC2=O)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.39
CCKAR P32238 8/20 0.39
NOTCH1 P46531 5/20 0.37
NOTCH3 Q9UM47 3/20 0.37
RBPJ Q06330 2/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36

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
SCHEMBL6954236 0.90 CCKAR (0.38) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL13502693 0.88 CCKBR (0.42) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL13502688 0.78 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6948348 0.78 NOTCH1 (0.40) NOTCH1NOTCH3RBPJ
SCHEMBL6949634 0.74 NOTCH1 (0.39) CCKBRNOTCH1NOTCH3RBPJPSEN1
SCHEMBL6954233 0.74 NOTCH1 (0.35) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL3589772 0.73 PSEN1 (0.50) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL6946820 0.72 NOTCH1 (0.33) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL3594079 0.71 PSEN1 (0.40) CCKBRNOTCH1RBPJPSEN1PSEN2
SCHEMBL6952065 0.71 CCKBR (0.34) CCKBRCCKARNOTCH1NOTCH3PSEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268433-A1 CYCLIC LACTAMS AS INHIBITORS OF A-BETA-PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP claimed
WO-2001074783-A1 CYCLIC LACTAMS AS INHIBITORS OF A ΒΕΤΑ PROTEIN PRODUCTION DUPONT PHARMACEUTICALS COMPANY (US) 2001-10-11 WO claimed
EP-1268433-A1 CYCLIC LACTAMS AS INHIBITORS OF A-BETA-PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
WO-2001074783-A1 CYCLIC LACTAMS AS INHIBITORS OF A ΒΕΤΑ PROTEIN PRODUCTION DUPONT PHARMACEUTICALS COMPANY (US) 2001-10-11 WO disclosed