SCHEMBL10694067

SCHEMBL10694067

CC(O)CCn1c(=O)c2c(ncn2CC(C)O)n(CCC(C)O)c1=O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
LMNA P02545 2/20 0.67
ALDH1A1 P00352 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PDE4A P27815 6/20 0.51
PDE4B Q07343 6/20 0.51
PDE4C Q08493 6/20 0.51
PDE4D Q08499 6/20 0.51
ADORA2A P29274 4/20 0.51
ADORA2B P29275 4/20 0.51
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CNOT7 Q9UIV1 1/20 0.47

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 0.93 PDE4A (0.63) SMN1; SMN2LMNAALDH1A1NPSR1PDE4A
SCHEMBL10695023 0.93 PDE4A (0.63) SMN1; SMN2LMNAALDH1A1NPSR1PDE4A
SCHEMBL5606734 0.88 PDE4A (0.67) SMN1; SMN2LMNAALDH1A1NPSR1PDE4A
SCHEMBL11610849 0.86 SMN1; SMN2 (0.63) SMN1; SMN2LMNAALDH1A1NPSR1PDE4A
SCHEMBL10693536 0.85 PDE4A (0.71) SMN1; SMN2LMNAALDH1A1NPSR1PDE4A
SCHEMBL10696905 0.85 PDE4A (0.57) SMN1; SMN2LMNAPDE4APDE4BPDE4C
SCHEMBL8697287 0.83 PDE4A (0.67) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL8696632 0.83 PDE4A (0.67) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL8696628 0.83 PDE4A (0.67) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL10695010 0.81 PDE4A (0.68) SMN1; SMN2LMNAPDE4APDE4BPDE4C

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