SCHEMBL4041320

SCHEMBL4041320

CN1C(=O)C(Cc2ccccc2)NC12CCN(SOC(=O)O)CC2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.38
PLA2G5 P39877 2/20 0.38
CXCR3 P49682 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 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
SCHEMBL4041207 0.86 PLA2G10 (0.38) PLA2G10PLA2G5CXCR3ALDH1A1LMNA
SCHEMBL4038679 0.84 CACNA1G (0.42) CXCR3ALDH1A1KMT2AMEN1
SCHEMBL4034612 0.81 ATM (0.40) CXCR3ALDH1A1KMT2AMEN1KDM4E
SCHEMBL4037127 0.81 HDAC8 (0.33) ALDH1A1HDAC8
SCHEMBL10326470 0.79 PLA2G10 (0.45) PLA2G10PLA2G5CXCR3ALDH1A1HDAC8
SCHEMBL10327298 0.79 PLA2G10 (0.45) PLA2G10PLA2G5CXCR3ALDH1A1HDAC8
SCHEMBL10326656 0.79 PLA2G10 (0.45) PLA2G10PLA2G5CXCR3ALDH1A1HDAC8
SCHEMBL3917588 0.79 PLA2G10 (0.39) PLA2G10PLA2G5CXCR3ALDH1A1HDAC8
SCHEMBL1802463 0.77 MEN1 (0.50) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL1803072 0.77 GRM5 (0.48) ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 WO claimed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP disclosed
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP disclosed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 WO disclosed