SCHEMBL22017448

SCHEMBL22017448

C=CCCn1c(=O)n(CCC=C)c(=O)n(CCC(C)CI)c1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
FAAH O00519 1/20 0.31
CNR2 P34972 2/20 0.30

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
SCHEMBL22017450 0.83 FAAH (0.37) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL22016447 0.81 CYP3A4 (0.36) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL11001667 0.78 CYP3A4 (0.55) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL16046188 0.74 CYP3A4 (0.46) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL22016446 0.73 CYP3A4 (0.35) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL16047961 0.72 ADORA2B (0.45) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL16046697 0.72 ADORA2B (0.45) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL22899035 0.72 PDE4A (0.56) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL22016152 0.72 CYP3A4 (0.40) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL9301102 0.71

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542407-B2 Fluorinated ether compound, fluorinated ether composition, coating liquid, article and its production method AGC Inc. (JP) 2023-01-03 US disclosed
US-20200157376-A1 FLUORINATED ETHER COMPOUND, FLUORINATED ETHER COMPOSITION, COATING LIQUID, ARTICLE AND ITS PRODUCTION METHOD AGC Inc. (JP) 2020-05-21 US disclosed