SCHEMBL4037642

SCHEMBL4037642

CSCCC1NC2(CCN(OC(=O)OC(C)(C)C)CC2)NC1=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.34
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL2941098 1.00 HDAC8 (0.34) HDAC8DDB1CRBN
SCHEMBL4035203 0.85 HDAC8 (0.37) HDAC8
SCHEMBL1801471 0.85 DDB1 (0.41) HDAC8DDB1CRBN
SCHEMBL3916837 0.85 DDB1 (0.41) HDAC8DDB1CRBN
SCHEMBL2932612 0.79 KMT2A (0.35) HDAC8
SCHEMBL4037006 0.79 KMT2A (0.35) HDAC8
SCHEMBL3927548 0.77 HDAC8 (0.40) HDAC8
SCHEMBL1802720 0.77 HDAC8 (0.40) HDAC8
SCHEMBL2943021 0.73 KMT2A (0.40)
SCHEMBL4037623 0.73 KMT2A (0.40)

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 3 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 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