SCHEMBL7477662

SCHEMBL7477662

COc1ccc(CCCC2(N3CCN(CCO)CC3)C(=O)NC(=O)NC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.60
MMP9 P14780 5/20 0.60
SIGMAR1 Q99720 3/20 0.50
DRD2 P14416 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL7480664 0.84 MMP2 (0.43) MMP2MMP9HRH3KCNH2NPSR1
SCHEMBL7480203 0.82 MMP2 (0.51) MMP2MMP9SIGMAR1
SCHEMBL7484255 0.81 MMP2 (0.50) MMP2MMP9SIGMAR1
SCHEMBL7483664 0.78 MMP2 (0.54) MMP2MMP9SIGMAR1DRD2KCNH2
Benzene SCHEMBL27569478 0.77 MMP2 (0.49) MMP2MMP9TP53MMP8MMP13
SCHEMBL7478115 0.76 MMP2 (0.44) MMP2MMP9SMN1; SMN2TP53LMNA
SCHEMBL7479229 0.76 MMP2 (0.44) MMP2MMP9TP53MMP8MMP13
SCHEMBL7642313 0.76 MMP2 (0.44) MMP2MMP9TP53MMP8MMP13
SCHEMBL7477270 0.76 MMP2 (0.44) MMP2MMP9TP53MMP8MMP13
SCHEMBL27489960 0.76 MMP2 (0.44) MMP2MMP9TP53MMP8MMP13

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