SCHEMBL6920569

SCHEMBL6920569

CC(C)CN1C(=O)C(NC(=O)[C@H](C)N)C(=O)N(CC(C)C)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
CCKBR P32239 7/20 0.50
XIAP P98170 6/20 0.47
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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 SCHEMBL4414990 0.99 ALDH1A1 (0.60) ALDH1A1CCKBRXIAP
SCHEMBL8022024 0.84 CCKBR (0.46) ALDH1A1CCKBRXIAPPSEN1PSEN2
SCHEMBL6917930 0.83 XIAP (0.47) ALDH1A1CCKBRXIAPPSEN1PSEN2
Hydrochloric Acid SCHEMBL4415323 0.83 XIAP (0.45) ALDH1A1CCKBRXIAPPSEN1PSEN2
Hydrochloric Acid SCHEMBL4412033 0.82 XIAP (0.46) ALDH1A1CCKBRXIAPPSEN1PSEN2
SCHEMBL6912415 0.80 PSEN1 (0.56) CCKBRXIAPPSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL4411847 0.79 PSEN1 (0.55) CCKBRXIAPPSEN1PSEN2APH1B
SCHEMBL8020336 0.78 ALDH1A1 (0.52) ALDH1A1CCKBRXIAPPSEN1PSEN2
SCHEMBL4416841 0.78 PSEN1 (0.52) ALDH1A1CCKBRXIAPPSEN1PSEN2
SCHEMBL4416543 0.78 ALDH1A1 (0.51) ALDH1A1CCKBR

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 5 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
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO disclosed