SCHEMBL7428024

SCHEMBL7428024

Cc1cc(COc2ccc([C@H]3CCN([C@@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.68
MMP2 P08253 10/20 0.68
MMP9 P14780 5/20 0.68
MMP3 P08254 3/20 0.68
MMP1 P03956 3/20 0.68
MMP7 P09237 2/20 0.68
MMP8 P22894 2/20 0.68
MMP13 P45452 2/20 0.68
MMP14 P50281 2/20 0.68
MMP15 P51511 1/20 0.68
MMP16 P51512 1/20 0.68
ADAM33 Q9BZ11 1/20 0.68
ADAM10 O14672 1/20 0.56

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
SCHEMBL7425875 1.00 ADAM17 (0.68) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL7427250 0.92 ADAM17 (0.67) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL17315811 0.90 ADAM17 (0.68) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL7427591 0.89 ADAM17 (0.62) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL7427259 0.89 ADAM17 (0.65) ADAM17MMP2MMP9MMP3MMP1
Trifluoroacetic Acid SCHEMBL6626825 0.88 ADAM17 (0.62) ADAM17MMP2MMP9MMP3MMP1
Trifluoroacetic Acid SCHEMBL7430366 0.83 ADAM17 (0.59) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL6628834 0.83 ADAM17 (0.62) ADAM17MMP2MMP9MMP1MMP13
SCHEMBL5966106 0.81 ADAM17 (1.00) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL2834283 0.81 ADAM17 (1.00) ADAM17MMP2MMP9MMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165546-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-ALPHA, AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP claimed
WO-2000059285-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO claimed
EP-1165546-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-ALPHA, AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059285-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed