SCHEMBL16388964

SCHEMBL16388964

CNC(=O)[C@H](C1CC1)N(N)C(=O)c1ccc(-c2cccc(CNC(=O)c3cccc(C(F)(F)F)n3)c2)o1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 20/20 0.74

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
SCHEMBL1316968 0.85 MMP13 (1.00) MMP13
SCHEMBL1316940 0.81 MMP13 (1.00) MMP13
SCHEMBL1316861 0.81 MMP13 (1.00) MMP13
SCHEMBL1316655 0.73 MMP13 (0.79) MMP13
SCHEMBL16389113 0.73 MMP13 (0.58) MMP13
SCHEMBL1316524 0.71 MMP13 (0.80) MMP13
SCHEMBL7915895 0.71 MMP13 (1.00) MMP13
SCHEMBL1317956 0.71 MMP13 (1.00) MMP13
SCHEMBL16389140 0.71 MMP13 (0.47) MMP13
SCHEMBL12120163 0.70 MMP13 (0.81) MMP13

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-2346831-B1 HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 — — EP disclosed
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