SCHEMBL6920745

SCHEMBL6920745

CCCCOC(=O)N[C@@H](C)C(=O)NC1C(=O)N(CC(C)(C)C)c2ccccc2N(CC(C)(C)C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
XIAP P98170 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 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
SCHEMBL7849872 0.85 PSEN1 (0.48) CCKBRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL7598202 0.82 CCKBR (0.53) CCKBRXIAP
SCHEMBL8022024 0.76 CCKBR (0.46) CCKBRALDH1A1XIAPPSEN1PSEN2
SCHEMBL4416534 0.76 PSEN1 (0.42) CCKBRALDH1A1XIAPPSEN1PSEN2
SCHEMBL4419111 0.75 PSEN1 (0.55) CCKBRXIAPPSEN1PSEN2APH1B
SCHEMBL8020336 0.75 ALDH1A1 (0.52) CCKBRALDH1A1XIAPPSEN1PSEN2
SCHEMBL4413339 0.72 SCN9A (0.56) KMT2A
SCHEMBL8633273 0.67 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL17164501 0.66 CTSK (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8763134 0.65 CASP1 (0.47) ALDH1A1

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