SCHEMBL5800624

SCHEMBL5800624

O=C(NCc1ccccc1)N1CC(OC(c2ccccc2)c2ccc(OC(F)(F)F)cc2C(F)(F)F)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.41
RORC P51449 2/20 0.40
CHRNA7 P36544 4/20 0.40
MAPK14 Q16539 1/20 0.40
SCN5A Q14524 1/20 0.40
KCNH2 Q12809 1/20 0.38
NAMPT P43490 2/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.38
CHRM4 P08173 1/20 0.38
OPRM1 P35372 1/20 0.37

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
SCHEMBL4087335 0.90 HTT (0.44) SCN9ARORCCHRNA7NAMPTHTT
SCHEMBL4075594 0.87 RORC (0.45) RORCMEN1KMT2A
SCHEMBL4085218 0.83 FAAH (0.44) SCN9ARORCSCN5A
SCHEMBL5803251 0.81 MEN1 (0.37) MEN1KMT2A
SCHEMBL4079204 0.79 RORC (0.40) RORC
SCHEMBL5781879 0.78 ACHE (0.49) KCNH2MEN1KMT2AACHEOPRM1
SCHEMBL4081960 0.75 ACHE (0.39) RORCKCNH2ACHE
SCHEMBL4077473 0.75 CNR1 (0.48) KCNH2ACHE
SCHEMBL29575091 0.75 CNR1 (0.48) KCNH2ACHE
SCHEMBL5782662 0.74 TACR1 (0.47) RORC

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