SCHEMBL16389115

SCHEMBL16389115

CN(N)C(=O)[C@@H](NC(=O)c1ccc(-c2cc(CNC(=O)c3cccc(F)n3)ccn2)o1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 20/20 0.54

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
SCHEMBL16389114 0.92 MMP13 (0.63) MMP13
SCHEMBL1317415 0.89 MMP13 (0.68) MMP13
SCHEMBL16389112 0.82 MMP13 (0.53) MMP13
SCHEMBL1317587 0.81 MMP13 (0.79) MMP13
SCHEMBL16389108 0.81 MMP13 (0.67) MMP13
SCHEMBL1316524 0.80 MMP13 (0.80) MMP13
SCHEMBL1319025 0.78 MMP13 (0.80) MMP13
SCHEMBL1318018 0.77 MMP13 (0.82) MMP13
SCHEMBL1316891 0.77 MMP13 (0.65) MMP13
SCHEMBL1317048 0.75 MMP13 (0.66) 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
Send feedback