SCHEMBL8553779

SCHEMBL8553779

CCCN1CCN(C2(c3ccccc3)C(=O)NC(=O)NC2=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.61
MMP9 P14780 18/20 0.61
MMP8 P22894 2/20 0.61
MMP13 P45452 2/20 0.61
MMP3 P08254 1/20 0.54
ADAM17 P78536 2/20 0.51

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
SCHEMBL7476592 0.86 MMP2 (0.80) MMP2MMP9MMP8MMP13MMP3
SCHEMBL7473915 0.85 MMP2 (0.61) MMP2MMP9MMP8MMP13MMP3
SCHEMBL8337954 0.80 MMP2 (0.81) MMP2MMP9MMP8MMP13
SCHEMBL7476072 0.77 MMP2 (0.53) MMP2MMP9MMP8MMP13MMP3
SCHEMBL7476074 0.77 MMP2 (0.53) MMP2MMP9MMP8MMP13MMP3
SCHEMBL7484264 0.77 MMP8 (0.59) MMP2MMP9MMP8MMP13MMP3
SCHEMBL8551651 0.77 MMP2 (0.56) MMP2MMP9MMP8MMP13MMP3
SCHEMBL7474147 0.77 MMP2 (0.64) MMP2MMP9MMP8MMP13MMP3
SCHEMBL18457262 0.76 MMP2 (0.74) MMP2MMP9MMP8MMP13MMP3
SCHEMBL8551832 0.75 MMP8 (0.65) MMP2MMP9MMP8MMP13MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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