SCHEMBL7670550

SCHEMBL7670550

CC(C)(C)[C@@H](CO)NC(=O)[C@H](CC(=O)NO)N1C=CN(c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.37
MMP3 P08254 8/20 0.37
MMP9 P14780 3/20 0.35
MMP8 P22894 2/20 0.35
MMP1 P03956 2/20 0.33
MMP14 P50281 1/20 0.33

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
SCHEMBL7457497 1.00 MMP2 (0.37) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7462650 1.00 MMP2 (0.37) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7454200 0.92 ADAMTS4 (0.35) MMP1
SCHEMBL7454224 0.92 ADAMTS4 (0.35) MMP1
SCHEMBL7454216 0.92 ADAMTS4 (0.35) MMP1
SCHEMBL7607201 0.86 MMP2 (0.49) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7460871 0.86 KLK7 (0.36) MMP9MMP1
SCHEMBL7445489 0.78 MMP2 (0.46) MMP2MMP3MMP9MMP1MMP14
SCHEMBL7445478 0.78 MMP2 (0.46) MMP2MMP3MMP9MMP1MMP14
SCHEMBL7445496 0.78 MMP2 (0.46) MMP2MMP3MMP9MMP1MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed