SCHEMBL20708553

SCHEMBL20708553

CSc1ccc(C2(CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)NC(=O)NC2=O)cc1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.83
▸ ADAM17 P78536 13/20 0.83
▸ MMP13 P45452 12/20 0.83
▸ MMP2 P08253 12/20 0.83

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
SCHEMBL17871448 0.91 ADAMTS5 (1.00) ADAMTS5ADAM17MMP13MMP2
SCHEMBL17871586 0.90 ADAMTS5 (1.00) ADAMTS5ADAM17MMP13MMP2
SCHEMBL17871305 0.89 ADAMTS5 (1.00) ADAMTS5ADAM17MMP13MMP2
SCHEMBL17871267 0.88 ADAMTS5 (1.00) ADAMTS5ADAM17MMP13MMP2
SCHEMBL17884706 0.87 ADAMTS5 (0.81) ADAMTS5ADAM17MMP13MMP2
SCHEMBL17871182 0.87 ADAMTS5 (1.00) ADAMTS5ADAM17MMP13MMP2
SCHEMBL17871345 0.86 ADAMTS5 (1.00) ADAMTS5ADAM17MMP13MMP2
SCHEMBL17871341 0.86 ADAMTS5 (1.00) ADAMTS5ADAM17MMP13MMP2
SCHEMBL17871088 0.85 ADAMTS5 (1.00) ADAMTS5ADAM17MMP13MMP2
SCHEMBL17871120 0.83 ADAMTS5 (1.00) ADAMTS5ADAM17MMP13MMP2

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-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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