SCHEMBL16389108

SCHEMBL16389108

CN(N)C(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccnc(F)c3)c2)o1)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 20/20 0.67

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
SCHEMBL1319744 0.89 MMP13 (0.83) MMP13
SCHEMBL1319745 0.89 MMP13 (0.83) MMP13
SCHEMBL12123446 0.81 MMP13 (0.84) MMP13
SCHEMBL1319743 0.81 MMP13 (0.54) MMP13
SCHEMBL16389115 0.81 MMP13 (0.54) MMP13
SCHEMBL1317151 0.80 MMP13 (1.00) MMP13
SCHEMBL7909579 0.79 MMP13 (1.00) MMP13
SCHEMBL7914349 0.79 MMP13 (1.00) MMP13
SCHEMBL1319740 0.79 MMP13 (0.54) MMP13
SCHEMBL16389114 0.77 MMP13 (0.63) 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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