SCHEMBL21582762

SCHEMBL21582762

Cn1cc(-c2cccc(N3CCN(C(=O)CCC4(C5CC5)NC(=O)NC4=O)CC3)c2)cn1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 18/20 0.79
▸ MMP2 P08253 7/20 0.79
▸ ADAMTS4 O75173 2/20 0.69
▸ MMP13 P45452 2/20 0.69
▸ ADAMTS1 Q9UHI8 1/20 0.69
▸ ADAM17 P78536 2/20 0.65

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
SCHEMBL20708664 0.90 ADAMTS5 (0.80) ADAMTS5MMP2ADAMTS4MMP13ADAMTS1
SCHEMBL17871140 0.88 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL20708428 0.87 ADAMTS5 (0.77) ADAMTS5MMP2ADAMTS4MMP13ADAMTS1
SCHEMBL20708557 0.86 ADAMTS5 (0.77) ADAMTS5MMP2ADAMTS4MMP13ADAMTS1
SCHEMBL21582760 0.86 MMP2 (0.78) ADAMTS5MMP2ADAMTS4MMP13ADAMTS1
SCHEMBL20708422 0.86 ADAMTS5 (0.79) ADAMTS5MMP2ADAMTS4MMP13ADAMTS1
SCHEMBL20708420 0.86 ADAMTS5 (0.79) ADAMTS5MMP2ADAMTS4MMP13ADAMTS1
SCHEMBL20708570 0.86 ADAMTS5 (0.77) ADAMTS5MMP2ADAMTS4MMP13ADAMTS1
SCHEMBL20708281 0.85 ADAMTS5 (0.79) ADAMTS5MMP2ADAMTS4MMP13ADAMTS1
SCHEMBL20708283 0.83 ADAMTS5 (0.80) ADAMTS5MMP2ADAMTS4MMP13ADAMTS1

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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