SCHEMBL8113809

SCHEMBL8113809

O=C(S)CCCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.59
BCHE P06276 8/20 0.49
PTGIR P43119 1/20 0.46

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
SCHEMBL8103960 1.00 FAAH (0.59) FAAHBCHEPTGIR
SCHEMBL8113624 0.90 FAAH (0.61) FAAHBCHEPTGIR
SCHEMBL8104252 0.90 FAAH (0.61) FAAHBCHEPTGIR
SCHEMBL8103885 0.90 FAAH (0.61) FAAHBCHEPTGIR
SCHEMBL8104725 0.90 FAAH (0.61) FAAHBCHEPTGIR
SCHEMBL8113108 0.84 FAAH (0.55) FAAHBCHE
SCHEMBL8103958 0.84 FAAH (0.55) FAAHBCHE
SCHEMBL8113970 0.84 FAAH (0.76) FAAHBCHE
SCHEMBL8113557 0.84 FAAH (0.56) FAAHBCHEPTGIR
SCHEMBL8113769 0.84 FAAH (0.56) FAAHBCHEPTGIR

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-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 EP disclosed