SCHEMBL7477228

SCHEMBL7477228

COc1cccc(N2CCN(C3(c4ccccc4)C(=O)NC(=O)NC3=O)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.57
MMP9 P14780 15/20 0.57
MAPT P10636 2/20 0.56
MMP13 P45452 3/20 0.53
MMP8 P22894 2/20 0.53
NPY1R P25929 1/20 0.52
ADRB1 P08588 1/20 0.49
ADAM17 P78536 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48

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
SCHEMBL7478205 0.88 MAPT (0.72) MMP2MMP9MAPTMMP13MMP8
SCHEMBL7474147 0.85 MMP2 (0.64) MMP2MMP9MAPTMMP13MMP8
SCHEMBL7483991 0.80 MAPT (0.73) MMP2MMP9MAPTMMP13MMP8
SCHEMBL7480990 0.76 MMP2 (0.58) MMP2MMP9MAPTMMP13MMP8
SCHEMBL19212406 0.76 ADRB1 (0.69) MAPTNPY1RADRB1
SCHEMBL11074672 0.74 ADRB1 (0.76) MAPTADRB1
SCHEMBL8555925 0.73 MMP8 (0.62) MMP2MMP9MMP13MMP8
SCHEMBL14117695 0.73 SCN9A (0.61) MAPTMMP13ADRB1ADAM17ADAMTS5
SCHEMBL7475919 0.72 MMP2 (0.87) MMP2MMP9MAPTMMP13MMP8
SCHEMBL7484264 0.72 MMP8 (0.59) MMP2MMP9MMP13MMP8ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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