SCHEMBL1798718

SCHEMBL1798718

CCCC(N)C(=O)Nc1cn(C(CC)CC)cn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.57
PSEN2 P49810 11/20 0.57
APH1B Q8WW43 11/20 0.57
NCSTN Q92542 11/20 0.57
APH1A Q96BI3 11/20 0.57
PSENEN Q9NZ42 11/20 0.57
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
SPHK1 Q9NYA1 4/20 0.36
SPHK2 Q9NRA0 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AAK1 Q2M2I8 2/20 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
SCHEMBL1800016 0.81 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1799700 0.75 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1801768 0.73 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1799569 0.72 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1797715 0.72 LNPEP (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1796522 0.71 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7418597 0.70 POLB (0.55)
SCHEMBL1800676 0.69 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1796814 0.69 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL5041130 0.69 GAA (0.53) MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951958-B2 Imidazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2011-05-31 US disclosed