SCHEMBL8554743

SCHEMBL8554743

O=C1NC(=O)C(c2cccnc2)(N2CCC(O)CC2)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.51
MMP8 P22894 1/20 0.51
MMP2 P08253 11/20 0.44
MMP9 P14780 11/20 0.44
ADAMTS5 Q9UNA0 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
BRD4 O60885 1/20 0.41
CYP3A4 P08684 1/20 0.39
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
SLC6A9 P48067 1/20 0.37
ADAM17 P78536 1/20 0.37

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
SCHEMBL8550568 0.84 MMP3 (0.52) MMP3MMP8MMP2MMP9BRD4
SCHEMBL27491360 0.84 MMP8 (0.69) MMP3MMP8MMP2MMP9BRD4
SCHEMBL8551231 0.76 MMP3 (0.52) MMP3MMP8MMP2MMP9
SCHEMBL8551910 0.75 MMP3 (0.46) MMP3MMP8MMP2MMP9ADAMTS5
SCHEMBL8552412 0.70 MMP3 (0.40) MMP3MMP8MMP2MMP9BRD4
SCHEMBL8551083 0.70 MMP3 (0.44) MMP3MMP8MMP2MMP9BRD4
SCHEMBL8551832 0.70 MMP8 (0.65) MMP3MMP8MMP2MMP9
SCHEMBL7474462 0.69 MMP8 (0.64) MMP3MMP8MMP2MMP9ADAMTS5
SCHEMBL8555925 0.68 MMP8 (0.62) MMP3MMP8MMP2MMP9
SCHEMBL7472924 0.68 MMP8 (1.00) MMP3MMP8MMP2MMP9

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