SCHEMBL6946820

SCHEMBL6946820

CCCCC1=NC(NC(=O)C2(NC(=O)CCC(C)C)CCCC2)C(=O)Nc2c(Cc3ccccn3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 4/20 0.33
NOTCH3 Q9UM47 3/20 0.33
CCKAR P32238 2/20 0.33
CCKBR P32239 2/20 0.33
HSD11B1 P28845 1/20 0.31
CNR2 P34972 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
TSHR P16473 1/20 0.30
RBPJ Q06330 1/20 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
SCHEMBL6952065 0.81 CCKBR (0.34) NOTCH1NOTCH3CCKARCCKBR
SCHEMBL6954233 0.81 NOTCH1 (0.35) NOTCH1NOTCH3CCKARCCKBRRBPJ
SCHEMBL3596462 0.81 XIAP (0.37) CCKAR
SCHEMBL6954236 0.75 CCKAR (0.38) NOTCH1NOTCH3CCKARCCKBRRBPJ
SCHEMBL6948349 0.72 CCKBR (0.39) NOTCH1NOTCH3CCKARCCKBRRBPJ
SCHEMBL13502693 0.70 CCKBR (0.42) NOTCH1NOTCH3CCKARCCKBRRBPJ
SCHEMBL3582955 0.66 BDKRB1 (0.47) CCKBR
SCHEMBL3594079 0.66 PSEN1 (0.40) NOTCH1CCKBRRBPJ
SCHEMBL13502688 0.66 PSEN1 (0.46)
SCHEMBL3594082 0.60 CETP (0.33)

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