SCHEMBL8555925

SCHEMBL8555925

COC1CCN(C2(c3ccccc3)C(=O)NC(=O)NC2=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.62
MMP3 P08254 1/20 0.62
MMP2 P08253 19/20 0.56
MMP9 P14780 19/20 0.56
MMP13 P45452 1/20 0.47

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
SCHEMBL8551832 0.85 MMP8 (0.65) MMP8MMP3MMP2MMP9MMP13
SCHEMBL27491360 0.82 MMP8 (0.69) MMP8MMP3MMP2MMP9MMP13
SCHEMBL7474462 0.81 MMP8 (0.64) MMP8MMP3MMP2MMP9MMP13
SCHEMBL7484264 0.79 MMP8 (0.59) MMP8MMP3MMP2MMP9MMP13
SCHEMBL8551651 0.78 MMP2 (0.56) MMP8MMP3MMP2MMP9MMP13
SCHEMBL7472924 0.77 MMP8 (1.00) MMP8MMP3MMP2MMP9MMP13
SCHEMBL7478205 0.75 MAPT (0.72) MMP8MMP2MMP9MMP13
SCHEMBL7474147 0.75 MMP2 (0.64) MMP8MMP3MMP2MMP9MMP13
SCHEMBL8553779 0.73 MMP2 (0.61) MMP8MMP3MMP2MMP9MMP13
SCHEMBL7477228 0.73 MMP2 (0.57) MMP8MMP2MMP9MMP13

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