SCHEMBL15428867

SCHEMBL15428867

CNC(=O)[C@@H](NC(=O)c1ccc(-c2cc(CN)ccn2)o1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 19/20 0.50
▸ MMP8 P22894 2/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ MMP2 P08253 1/20 0.40

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
SCHEMBL15428866 0.85 MMP13 (0.48) MMP13MMP8MMP2
SCHEMBL1316391 0.83 MMP13 (0.56) MMP13MMP8
SCHEMBL1318496 0.82 MMP13 (0.59) MMP13MMP8
SCHEMBL1315492 0.82 MMP13 (0.53) MMP13
SCHEMBL1315788 0.80 MMP13 (0.63) MMP13
SCHEMBL1320162 0.80 MMP13 (0.51) MMP13MMP8
SCHEMBL1317619 0.80 MMP13 (0.55) MMP13
SCHEMBL1316891 0.80 MMP13 (0.65) MMP13MMP8
SCHEMBL1317556 0.79 MMP13 (0.80) MMP13
SCHEMBL1316751 0.78 MMP13 (0.79) MMP13MMP8

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 2 patents. 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
US-8637550-B2 Heteroaryl diamide compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 — — US disclosed
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