SCHEMBL11072744

SCHEMBL11072744

C=CCn1c(=O)c2[nH]c(CC)nc2n(CCCC)c1=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.51
ADORA2A P29274 3/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
ADORA1 P30542 4/20 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
SCHEMBL4953015 0.86 ADORA2B (0.52) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL11066985 0.85 SIRT1 (0.54) ADORA2BADORA2AADORA1
SCHEMBL10855008 0.82 ADORA2A (0.49) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL7112265 0.79 ADORA2B (0.54) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL3977480 0.78 PCK1 (0.70) ADORA2BADORA2AADORA1
SCHEMBL10856290 0.78 ADORA2B (0.61) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9430500 0.77 ADORA2A (0.60) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9429985 0.76 PDE4A (0.85) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL11389501 0.74 ADORA1 (0.61) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9122677 0.74 ADORA2B (0.55) ADORA2BADORA2APDE4APDE4BPDE4C

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-4469698-A SEDATIVES, TRANQUILIZERS SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) 1984-09-04 US claimed