SCHEMBL7476592

SCHEMBL7476592

O=C1NC(=O)C(c2ccccc2)(N2CCN(CCO)CC2)C(=O)N1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.80
MMP9 P14780 17/20 0.80
MMP8 P22894 2/20 0.64
MMP3 P08254 1/20 0.64
MMP13 P45452 1/20 0.61
BRD4 O60885 1/20 0.53

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
SCHEMBL8344876 0.88 MMP2 (0.70) MMP2MMP9MMP8MMP3MMP13
SCHEMBL8553779 0.86 MMP2 (0.61) MMP2MMP9MMP8MMP3MMP13
SCHEMBL7473915 0.85 MMP2 (0.61) MMP2MMP9MMP8MMP3MMP13
SCHEMBL8344261 0.81 MMP2 (0.83) MMP2MMP9MMP8MMP13
SCHEMBL5924499 0.80 MMP2 (1.00) MMP2MMP9MMP8MMP13
SCHEMBL5924337 0.80 MMP2 (1.00) MMP2MMP9MMP8MMP13
SCHEMBL5924448 0.80 MMP2 (1.00) MMP2MMP9MMP8MMP13
SCHEMBL6591431 0.79 MMP2 (0.82) MMP2MMP9MMP8MMP13
SCHEMBL6593922 0.79 MMP2 (0.61) MMP2MMP9MMP8MMP3MMP13
SCHEMBL7472924 0.78 MMP8 (1.00) MMP2MMP9MMP8MMP3MMP13

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 claimed
CN-1318406-C New barbituric acid derivatives, processes for their prodn. and pharmaceutical agent contg. same BOEHRINGER MANNHEIM GMBH (DE) 2007-05-30 CN disclosed
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
CN-1209123-A New barbituric acid derivatives, processes for their prodn. and pharmaceutical agent contg. same BOEHRINGER MANNHEIM GMBH (DE) 1999-02-24 CN disclosed