SCHEMBL7478205

SCHEMBL7478205

COc1ccc(N2CCN(C3(c4ccccc4)C(=O)NC(=O)NC3=O)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.72
MMP2 P08253 18/20 0.59
MMP9 P14780 18/20 0.59
MMP13 P45452 3/20 0.52
MMP8 P22894 2/20 0.52
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
SCHEMBL7477228 0.88 MMP2 (0.57) MAPTMMP2MMP9MMP13MMP8
SCHEMBL7474147 0.87 MMP2 (0.64) MAPTMMP2MMP9MMP13MMP8
SCHEMBL7480990 0.81 MMP2 (0.58) MAPTMMP2MMP9MMP13MMP8
SCHEMBL7475919 0.79 MMP2 (0.87) MAPTMMP2MMP9MMP13MMP8
SCHEMBL6441647 0.78 MMP2 (0.62) MMP2MMP9MMP13MMP8
SCHEMBL4664602 0.77 MMP2 (0.72) MAPTMMP2MMP9MMP13MMP8
SCHEMBL8555925 0.75 MMP8 (0.62) MMP2MMP9MMP13MMP8
SCHEMBL4664591 0.75 MMP2 (0.69) MAPTMMP2MMP9MMP13MMP8
SCHEMBL6153220 0.74 ALDH1A1 (0.66) MAPT
SCHEMBL7484264 0.73 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