SCHEMBL8550819

SCHEMBL8550819

COc1ccc(CC2(N3CCC(O)CC3)C(=O)NC(=O)NC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.45
MMP9 P14780 10/20 0.45
MMP8 P22894 8/20 0.45
MMP13 P45452 6/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
GRM3 Q14832 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL8550165 0.83 MMP8 (0.45) MMP2MMP9MMP8MMP13
SCHEMBL5443745 0.72 MMP2 (0.70) MMP2MMP9MMP8MMP13LMNA
SCHEMBL2390775 0.68 MEN1 (0.68) SMN1; SMN2
SCHEMBL7477662 0.68 MMP2 (0.60) MMP2MMP9MMP8MMP13LMNA
SCHEMBL17294160 0.68 MMP2 (0.53) MMP2MMP9MMP8MMP13LMNA
SCHEMBL6142919 0.66 GRM3 (0.44) SMN1; SMN2GAAGRM3HSD17B10
SCHEMBL6142920 0.65 ALDH1A1 (0.45) LMNASMN1; SMN2GRM3
SCHEMBL17117354 0.65 POLB (0.61) SMN1; SMN2
SCHEMBL542639 0.65 SMN1; SMN2 (0.73) MMP2MMP9MMP8MMP13LMNA
SCHEMBL6800161 0.64 SIGMAR1 (0.64)

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