SCHEMBL6559744

SCHEMBL6559744

O=C(NCc1ccccc1)N1CCCCCC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
HRH3 Q9Y5N1 1/20 0.67
KMT2A Q03164 5/20 0.66
MEN1 O00255 3/20 0.66
NPSR1 Q6W5P4 2/20 0.66
F2 P00734 1/20 0.62
PRSS1 P07477 1/20 0.62
TPSAB1 Q15661 1/20 0.61
TP53 P04637 1/20 0.61
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
EPHX2 P34913 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
SCHEMBL5217325 1.00 KDM4E (0.68) KDM4EHRH3KMT2AMEN1NPSR1
SCHEMBL4197501 0.98 KDM4E (0.69) KDM4EHRH3KMT2AMEN1NPSR1
SCHEMBL5800630 0.95 KDM4E (0.69) KDM4EHRH3KMT2AMEN1NPSR1
SCHEMBL25885761 0.89 KMT2A (0.57) KDM4EHRH3KMT2AMEN1NPSR1
SCHEMBL17863558 0.88 KDM4E (0.54) KDM4EHRH3KMT2AMEN1NPSR1
SCHEMBL27390997 0.85 HRH3 (0.78) KDM4EHRH3KMT2AMEN1NPSR1
SCHEMBL23252438 0.85 KMT2A (0.55) KDM4EHRH3KMT2AMEN1NPSR1
SCHEMBL27514596 0.85 KDM4E (0.66) KDM4EHRH3KMT2AMEN1NPSR1
SCHEMBL17864835 0.84 KDM4E (0.51) KDM4EHRH3KMT2AMEN1NPSR1
SCHEMBL14529027 0.84 HRH3 (0.80) KDM4EHRH3KMT2AMEN1NPSR1

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-1436255-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-07-14 EP claimed
WO-2003024924-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-03-27 WO claimed