SCHEMBL21582760

SCHEMBL21582760

O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(-c4ccncc4)c3)CC2)(C2CC2)N1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.78
▸ ADAMTS5 Q9UNA0 18/20 0.76
▸ MMP13 P45452 3/20 0.74
▸ ADAMTS4 O75173 2/20 0.74
▸ ADAMTS1 Q9UHI8 1/20 0.74
▸ ADAM17 P78536 2/20 0.69

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
SCHEMBL20708557 0.91 ADAMTS5 (0.77) MMP2ADAMTS5MMP13ADAMTS4ADAMTS1
SCHEMBL20708428 0.90 ADAMTS5 (0.77) MMP2ADAMTS5MMP13ADAMTS4ADAMTS1
SCHEMBL20708281 0.90 ADAMTS5 (0.79) MMP2ADAMTS5MMP13ADAMTS4ADAMTS1
SCHEMBL17871419 0.88 MMP2 (1.00) MMP2ADAMTS5MMP13ADAMTS4ADAMTS1
SCHEMBL20708283 0.88 ADAMTS5 (0.80) MMP2ADAMTS5MMP13ADAMTS4ADAMTS1
SCHEMBL20708570 0.87 ADAMTS5 (0.77) MMP2ADAMTS5MMP13ADAMTS4ADAMTS1
SCHEMBL17871483 0.87 ADAMTS5 (1.00) MMP2ADAMTS5ADAMTS4ADAM17
SCHEMBL21582762 0.86 ADAMTS5 (0.79) MMP2ADAMTS5MMP13ADAMTS4ADAMTS1
SCHEMBL20708420 0.85 ADAMTS5 (0.79) MMP2ADAMTS5MMP13ADAMTS4ADAMTS1
SCHEMBL20708422 0.85 ADAMTS5 (0.79) MMP2ADAMTS5MMP13ADAMTS4ADAMTS1

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-3575294-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Les Laboratoires Servier (FR) 2019-12-04 — — EP disclosed
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