SCHEMBL9293748

SCHEMBL9293748

Cn1c(=O)c2c(ncn2CCCCCCCCCCCCCCCCCCO)n(C)c1=O

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.78
LMNA P02545 3/20 0.78
MAPK1 P28482 1/20 0.71
RXFP1 Q9HBX9 1/20 0.71
PDE4A P27815 1/20 0.66
PDE4B Q07343 1/20 0.66
PDE4C Q08493 1/20 0.66
PDE4D Q08499 1/20 0.66
MAPT P10636 1/20 0.65
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL9294691 1.00 ADORA2B (0.78) ADORA2BLMNAMAPK1RXFP1PDE4A
SCHEMBL9293800 1.00 ADORA2B (0.78) ADORA2BLMNAMAPK1RXFP1PDE4A
SCHEMBL10652746 1.00 ADORA2B (0.78) ADORA2BLMNAMAPK1RXFP1PDE4A
SCHEMBL10856641 1.00 ADORA2B (0.78) ADORA2BLMNAMAPK1RXFP1PDE4A
SCHEMBL9294488 1.00 ADORA2B (0.78) ADORA2BLMNAMAPK1RXFP1PDE4A
SCHEMBL8070551 1.00 ADORA2B (0.78) ADORA2BLMNAMAPK1RXFP1PDE4A
SCHEMBL9293922 1.00 ADORA2B (0.78) ADORA2BLMNAMAPK1RXFP1PDE4A
SCHEMBL8697228 0.99 ADORA2B (0.81) ADORA2BLMNAMAPK1RXFP1PDE4A
SCHEMBL9293406 0.94 ADORA2B (0.83) ADORA2BLMNAMAPK1RXFP1PDE4A
SCHEMBL10985224 0.94 ADORA2B (0.69) ADORA2BLMNAMAPK1RXFP1PDE4A

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-5288721-A Substituted epoxyalkyl xanthines CELL THERAPEUTICS, INC. (US) 1994-02-22 US disclosed