SCHEMBL7442906

SCHEMBL7442906

Nc1nc2nc[nH]c2c(=O)n1CCC(CO)CO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.41
ADORA2B P29275 6/20 0.41
PDE2A O00408 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE4A P27815 7/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
PDE4D Q08499 7/20 0.40
PNP P00491 2/20 0.38
CFTR P13569 1/20 0.38
DPP4 P27487 1/20 0.36

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
SCHEMBL7617801 0.89 ADORA2A (0.40) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL27842808 0.85 PDE4A (0.53) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL8423728 0.85 PDE4A (0.38) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL28071828 0.82 PNP (0.45) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL7173171 0.81 ADORA2A (0.40) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL3671339 0.80 DPP4 (0.44) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL667797 0.80 PDE4A (0.60) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL5664376 0.79 PDE4A (0.39) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL15013384 0.79 MEN1 (0.40) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL2346363 0.79 PDE4A (0.44) ADORA2AADORA2BPDE4APDE4BPDE4C

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-5698226-A CONTAINING LAMOTRIGINE, SWELLABLE CLAY, DISINTEGRATING AGENT WITHIN GRANULES OF TABLET GLAXO WELLCOME INC. (US) 1997-12-16 US disclosed