SCHEMBL10695023

SCHEMBL10695023

CCCCn1c(=O)c2c(ncn2CC(C)O)n(CCC(C)O)c1=O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.63
PDE4B Q07343 6/20 0.63
PDE4C Q08493 6/20 0.63
PDE4D Q08499 6/20 0.63
ADORA2A P29274 4/20 0.63
ADORA2B P29275 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
CNOT7 Q9UIV1 4/20 0.50
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL10693202 1.00 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5606734 0.96 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10694067 0.93 SMN1; SMN2 (0.67) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10696905 0.92 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8697287 0.91 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8696628 0.91 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8696632 0.91 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10695010 0.89 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10695142 0.89 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10694974 0.87 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DADORA2A

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-0260127-A2 Xanthine derivatives, their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-03-16 EP claimed
EP-0260127-A2 Xanthine derivatives, their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-03-16 EP disclosed