SCHEMBL5801936

SCHEMBL5801936

CCCNC(=O)N1CC(OC(c2ccc(OC(F)F)cc2)c2ccccc2C(F)(F)F)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.38
FAAH O00519 8/20 0.37
CNR1 P21554 4/20 0.37
SCD O00767 1/20 0.36
TP53 P04637 1/20 0.35
EPHX2 P34913 1/20 0.35
CNR2 P34972 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4080267 0.88 FAAH (0.48) FAAHCNR1CNR2
SCHEMBL4079397 0.87 RBP4 (0.40) RBP4FAAHCNR1CNR2
SCHEMBL4089334 0.87 CNR1 (0.40) RBP4FAAHCNR1CNR2
SCHEMBL4079103 0.87 RBP4 (0.37) RBP4FAAHCNR1CNR2KMT2A
SCHEMBL5821503 0.87 FAAH (0.37) RBP4FAAHCNR1SCDTP53
SCHEMBL4075637 0.86 CNR1 (0.48) RBP4FAAHCNR1
SCHEMBL29574824 0.86 CNR1 (0.48) RBP4FAAHCNR1
SCHEMBL4084791 0.83 FAAH (0.47) FAAHCNR1CNR2
SCHEMBL4084837 0.82 CNR1 (0.51) RBP4FAAHCNR1CNR2
SCHEMBL4083772 0.81 FAAH (0.49) FAAHCNR1CNR2

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
EP-1620395-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-02-01 EP disclosed
WO-2004096763-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 WO disclosed