SCHEMBL7477648

SCHEMBL7477648

NCCCCCCCCC1(N2CCN(CCO)CC2)C(=O)NC(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.42
MMP9 P14780 8/20 0.42
KMT2A Q03164 1/20 0.34
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL7478115 0.91 MMP2 (0.44) MMP2MMP9KMT2AMMP8MMP13
SCHEMBL7642313 0.87 MMP2 (0.44) MMP2MMP9KMT2AMMP8MMP13
SCHEMBL7479229 0.87 MMP2 (0.44) MMP2MMP9KMT2AMMP8MMP13
SCHEMBL27489960 0.87 MMP2 (0.44) MMP2MMP9KMT2AMMP8MMP13
SCHEMBL7477270 0.87 MMP2 (0.44) MMP2MMP9KMT2AMMP8MMP13
Benzene SCHEMBL27569333 0.84 MMP2 (0.47) MMP2MMP9KMT2AMMP8MMP13
SCHEMBL7482265 0.84 MMP9 (0.42) MMP2MMP9KMT2AMMP8MMP13
SCHEMBL7484255 0.81 MMP2 (0.50) MMP2MMP9
Benzene SCHEMBL27569478 0.81 MMP2 (0.49) MMP2MMP9KMT2AMMP8MMP13
SCHEMBL7480664 0.79 MMP2 (0.43) MMP2MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6472396-B1 Barbituric acid derivatives, processes for their production and pharmaceutical agents containing these compounds ROCHE DIAGNOSTICS GMBH (DE) 2002-10-29 US disclosed
EP-0869947-B1 BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 2002-10-23 EP disclosed
US-6110924-A MATRIX METALLOPROTEASE INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 2000-08-29 US disclosed
EP-0869947-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-10-14 EP disclosed
WO-1997023465-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-07-03 WO disclosed