SCHEMBL6814856

SCHEMBL6814856

C[C@H](N)C(=O)NN1C(=O)Cc2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
CASP6 P55212 3/20 0.41
NOTUM Q6P988 1/20 0.40
KMT2A Q03164 3/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RNASEH1 O60930 1/20 0.39
XIAP P98170 2/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
PABPC1 P11940 1/20 0.37
BLM P54132 1/20 0.37
OPRM1 P35372 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
Hydrochloric Acid SCHEMBL6302348 0.99 L3MBTL1 (0.46) L3MBTL1CASP6NOTUMKMT2ACASP3
Hydrochloric Acid SCHEMBL7123638 0.87 CASP6 (0.44) L3MBTL1CASP6NOTUMKMT2ACASP3
SCHEMBL4420583 0.76 CASP6 (0.40) CASP6NOTUMKMT2ACASP3SENP8
SCHEMBL4991833 0.75 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4413141 0.73 PSEN1 (0.46) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4413546 0.73 PSEN1 (0.46) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL6778699 0.73 PSEN1 (0.46) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL6308554 0.73 PSEN1 (0.46) L3MBTL1XIAPPSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL4416849 0.72 PSEN1 (0.46) XIAPPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL4424501 0.72 PSEN1 (0.46) XIAPPSEN1PSEN2APH1BNCSTN

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