SCHEMBL5800630

SCHEMBL5800630

O=C(NCc1ccccc1)N1CCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
HRH3 Q9Y5N1 1/20 0.68
NPSR1 Q6W5P4 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
F2 P00734 1/20 0.63
PRSS1 P07477 1/20 0.63
TPSAB1 Q15661 1/20 0.62
TP53 P04637 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
TSHR P16473 1/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
GRIN2B Q13224 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56

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
SCHEMBL4197501 0.96 KDM4E (0.69) KDM4EHRH3NPSR1MEN1KMT2A
SCHEMBL5217325 0.95 KDM4E (0.68) KDM4EHRH3NPSR1MEN1KMT2A
SCHEMBL6559744 0.95 KDM4E (0.68) KDM4EHRH3NPSR1MEN1KMT2A
SCHEMBL7986405 0.88 KDM4E (0.55) KDM4EHRH3NPSR1MEN1KMT2A
SCHEMBL27514596 0.86 KDM4E (0.66) KDM4EHRH3NPSR1MEN1KMT2A
SCHEMBL14479131 0.85 KDM4E (0.73) KDM4EHRH3NPSR1MEN1KMT2A
SCHEMBL4584366 0.85 KDM4E (0.64) KDM4EHRH3NPSR1MEN1KMT2A
SCHEMBL4671180 0.85 KDM4E (0.64) KDM4EHRH3NPSR1MEN1KMT2A
SCHEMBL20236311 0.85 KDM4E (0.64) KDM4EHRH3NPSR1MEN1KMT2A
SCHEMBL5471150 0.85 MEN1 (0.75) KDM4EHRH3NPSR1MEN1KMT2A

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