SCHEMBL6920192

SCHEMBL6920192

CCCCOC(=O)N[C@@H](C)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CCCC(F)(F)F)C1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 9/20 0.50
NOTCH3 Q9UM47 8/20 0.50
PSEN1 P49768 2/20 0.50
PSEN2 P49810 2/20 0.50
APH1B Q8WW43 2/20 0.50
NCSTN Q92542 2/20 0.50
APH1A Q96BI3 2/20 0.50
PSENEN Q9NZ42 2/20 0.50
GSAP A4D1B5 1/20 0.50
SCN9A Q15858 5/20 0.49
NOTCH2 Q04721 1/20 0.49
NOTCH4 Q99466 1/20 0.49
RBPJ Q06330 1/20 0.49
CCKBR P32239 2/20 0.49
CCKAR P32238 1/20 0.47

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
SCHEMBL4413314 0.89 SCN9A (0.60) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL4994502 0.88 PSEN1 (0.56) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL4990936 0.87 PSEN1 (0.59) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL4991338 0.85 PSEN1 (0.57) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL4989282 0.85 PSEN1 (0.65) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL4995284 0.85 PSEN1 (0.53) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL4990141 0.84 PSEN1 (0.56) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL4991013 0.84 NOTCH1 (0.53) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL4993346 0.84 PSEN1 (0.59) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL4412662 0.83 NOTCH1 (0.59) NOTCH1NOTCH3NOTCH2NOTCH4RBPJ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093372-A4 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2004-09-29 EP disclosed
EP-1093372-A1 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2001-04-25 EP disclosed
WO-1999066934-A1 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed