SCHEMBL6313816

SCHEMBL6313816

CC1C(=O)N(NC(=O)[C@@H](N)C(C)C)c2ccccc2-c2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.40
PSEN2 P49810 14/20 0.40
APH1B Q8WW43 14/20 0.40
NCSTN Q92542 14/20 0.40
APH1A Q96BI3 14/20 0.40
PSENEN Q9NZ42 14/20 0.40
SPPL2A Q8TCT8 1/20 0.38
DPP8 Q6V1X1 2/20 0.36
KIF11 P52732 2/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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 SCHEMBL4415331 0.99 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6305882 0.92 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6305235 0.92 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4413101 0.91 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4415263 0.91 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6307501 0.88 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4424166 0.88 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4416418 0.87 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4414823 0.87 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8131059 0.85 SCN9A (0.37)

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
EP-1042298-A1 POLYCYCLIC ALPHA-AMINO-EPSILON-CAPROLACTAMS AND RELATED COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2000-10-11 EP claimed
WO-1999032453-A1 POLYCYCLIC α-AMINO-⊂-CAPROLACTAMS AND RELATED COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1999-07-01 WO claimed
US-6958330-B1 Polycyclic α-amino-ε-caprolactams and related compounds ELAN PHARMACEUTICALS, INC. (US) 2005-10-25 US disclosed
EP-1042298-A1 POLYCYCLIC ALPHA-AMINO-EPSILON-CAPROLACTAMS AND RELATED COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2000-10-11 EP disclosed
WO-1999032453-A1 POLYCYCLIC α-AMINO-⊂-CAPROLACTAMS AND RELATED COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1999-07-01 WO disclosed