SCHEMBL7425620

SCHEMBL7425620

CCCC[C@H](O)[C@@H](CC(C)C)C(=O)C1(N)N=C(c2ccc(F)cc2)c2ccccc2N(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 9/20 0.47
RBPJ Q06330 3/20 0.47
PSEN1 P49768 5/20 0.42
PSEN2 P49810 5/20 0.42
APH1B Q8WW43 5/20 0.42
NCSTN Q92542 5/20 0.42
APH1A Q96BI3 5/20 0.42
PSENEN Q9NZ42 5/20 0.42
NOTCH3 Q9UM47 6/20 0.38
CCKBR P32239 1/20 0.35
SCN9A Q15858 1/20 0.32
GSAP A4D1B5 1/20 0.32

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
SCHEMBL5885477 0.93 NOTCH1 (0.47) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL5884692 0.93 NOTCH1 (0.47) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL5884699 0.93 NOTCH1 (0.47) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL7484324 0.91 PSEN1 (0.44) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL7598225 0.91 NOTCH1 (0.47) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL7427826 0.89 NOTCH1 (0.45) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL6385267 0.88 NOTCH1 (0.39) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL7437548 0.86 NOTCH1 (0.42) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL4982216 0.81 NOTCH1 (0.46) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL7426811 0.81 NOTCH1 (0.38) NOTCH1RBPJPSEN1PSEN2APH1B

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-1212306-A2 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-12 EP claimed
WO-2001019797-A2 HYDROXYALKANOYL AMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2001-03-22 WO claimed
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