SCHEMBL6313103

SCHEMBL6313103

CC(C)[C@H](N)C(=O)NN1C(=O)C(CC2CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 17/20 0.44
PSEN2 P49810 17/20 0.44
APH1B Q8WW43 17/20 0.44
NCSTN Q92542 17/20 0.44
APH1A Q96BI3 17/20 0.44
PSENEN Q9NZ42 17/20 0.44
XIAP P98170 2/20 0.36
PTH1R Q03431 1/20 0.35

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 SCHEMBL4413424 0.99 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6308554 0.93 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4413011 0.92 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8133207 0.88 KMT2A (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6305543 0.83 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4418513 0.82 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4424166 0.82 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6307501 0.82 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6307916 0.81 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6307634 0.81 KMT2A (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958330-B1 Polycyclic α-amino-ε-caprolactams and related compounds ELAN PHARMACEUTICALS, INC. (US) 2005-10-25 US claimed
US-6958330-B1 Polycyclic α-amino-ε-caprolactams and related compounds ELAN PHARMACEUTICALS, INC. (US) 2005-10-25 US disclosed
EP-1089981-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS. Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
EP-1042298-A1 POLYCYCLIC ALPHA-AMINO-EPSILON-CAPROLACTAMS AND RELATED COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2000-10-11 EP disclosed
WO-1999067220-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
WO-1999032453-A1 POLYCYCLIC α-AMINO-⊂-CAPROLACTAMS AND RELATED COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1999-07-01 WO disclosed