SCHEMBL6604898

SCHEMBL6604898

CC(C)(C)OC(=O)Nc1cnccc1CN1CCCC1.Nc1cnccc1CN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
GSK3B P49841 2/20 0.45
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
PDE5A O76074 2/20 0.38
PDE4A P27815 2/20 0.38
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE1C Q14123 2/20 0.38
PDE3A Q14432 2/20 0.38
NAMPT P43490 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL6627397 0.88 ACHE (0.39) CCNE2CCNE1CDK2GSK3BPIM1
SCHEMBL6595468 0.83 ACHE (0.42) CCNE2CCNE1CDK2GSK3BPDE5A
SCHEMBL6035419 0.81 ACHE (0.46) NAMPTACHEBACE1CYP17A1
SCHEMBL14884369 0.80 KCNA3 (0.47)
SCHEMBL14884368 0.78 GPR119 (0.52) NAMPT
SCHEMBL30601022 0.77 CYP17A1 (0.48) NAMPTCYP17A1ATR
SCHEMBL12018154 0.77 CYP17A1 (0.48) NAMPTCYP17A1ATR
SCHEMBL6034811 0.76 AOC1 (0.53) ACHEIKBKETBK1KDM4EALDH1A1
SCHEMBL29939247 0.76 AOC1 (0.53) ACHEIKBKETBK1KDM4EALDH1A1
SCHEMBL6035809 0.76 CACNA1B (0.46) CCNE2CCNE1CDK2GSK3BPIM1

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
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO disclosed