SCHEMBL23865366

SCHEMBL23865366

CB1OCc2cc(Oc3ncc(C)cn3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.49
PDE4A P27815 12/20 0.49
PDE4C Q08493 12/20 0.49
PDE4D Q08499 12/20 0.49
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
PDE1A P54750 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL7864520 0.85 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL17677321 0.85 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL16281767 0.85 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL7862625 0.84 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL18595851 0.84 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL7863935 0.82 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL7855642 0.81 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL11993012 0.81 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10186834 0.80 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL11993029 0.80 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DCHRM1

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-3148551-B1 VOLATILE APPLICATIONS AGAINST PATHOGENS AGROFRESH INC (US) 2021-09-29 EP disclosed