SCHEMBL20708283

SCHEMBL20708283

COc1cc(-c2cccc(N3CCN(C(=O)CCC4(C5CC5)NC(=O)NC4=O)CC3)c2)ccn1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 18/20 0.80
▸ ADAMTS4 O75173 3/20 0.73
▸ MMP2 P08253 7/20 0.66
▸ MMP13 P45452 2/20 0.66
▸ ADAMTS1 Q9UHI8 1/20 0.66
▸ ADAM17 P78536 2/20 0.62

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
SCHEMBL20708281 0.90 ADAMTS5 (0.79) ADAMTS5ADAMTS4MMP2MMP13ADAMTS1
SCHEMBL17884716 0.89 ADAMTS5 (1.00) ADAMTS5ADAMTS4MMP2ADAM17
SCHEMBL21582760 0.88 MMP2 (0.78) ADAMTS5ADAMTS4MMP2MMP13ADAMTS1
SCHEMBL19691587 0.85 ADAMTS4 (1.00) ADAMTS5ADAMTS4MMP2MMP13ADAMTS1
SCHEMBL20708557 0.84 ADAMTS5 (0.77) ADAMTS5ADAMTS4MMP2MMP13ADAMTS1
SCHEMBL20708422 0.84 ADAMTS5 (0.79) ADAMTS5ADAMTS4MMP2MMP13ADAMTS1
SCHEMBL20708570 0.84 ADAMTS5 (0.77) ADAMTS5ADAMTS4MMP2MMP13ADAMTS1
SCHEMBL20708428 0.83 ADAMTS5 (0.77) ADAMTS5ADAMTS4MMP2MMP13ADAMTS1
SCHEMBL21582785 0.83 ADAMTS5 (0.79) ADAMTS5ADAMTS4MMP2MMP13ADAMTS1
SCHEMBL21582762 0.83 ADAMTS5 (0.79) ADAMTS5ADAMTS4MMP2MMP13ADAMTS1

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-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
EP-3237406-B1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-02-06 — — EP disclosed
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