SCHEMBL5033836

SCHEMBL5033836

CC(=O)OC1CNCCC12CCNCC2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL29151135 0.83 CYP3A4 (0.36) CYP3A4ACHEKDM4EKMT2A
SCHEMBL16652323 0.80 ACHE (0.40) CYP3A4ACHE
SCHEMBL8775679 0.79 CYP3A4 (0.36) CYP3A4ACHE
SCHEMBL29847388 0.78 KDM4E (0.32) KDM4EKMT2A
SCHEMBL5035156 0.77
SCHEMBL16906273 0.71 CYP3A4 (0.33) CYP3A4ACHEKDM4EKMT2A
SCHEMBL30856622 0.70
SCHEMBL31283424 0.68 KDM4E (0.32) KDM4EKMT2A
SCHEMBL6115021 0.68 CHRM2 (0.35) KDM4EKMT2A
SCHEMBL5640241 0.67 CHRM2 (0.40) KMT2A

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-1926730-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2008-06-04 EP disclosed
WO-2007030061-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-03-15 WO disclosed