SCHEMBL1344288

SCHEMBL1344288

COC(=O)C1CC(C#N)(c2cc(F)c(OC)c(OCC3CC3)c2F)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 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
SCHEMBL7869823 0.83 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL4430870 0.79 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7416606 0.76 PDE4B (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL8356325 0.75 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17542850 0.73 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29360419 0.72 PDE4B (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL109922 0.72 PDE4B (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL1558214 0.69 RORC (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11096494 0.69 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6617848 0.69 PDE4A (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8061350-B2 Process and device for dosing pharmaceutical agents BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-11-22 US disclosed
US-20070282276-A1 PROCESS AND DEVICE FOR DOSING PHARMACEUTICAL AGENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-12-06 US disclosed