SCHEMBL20708305

SCHEMBL20708305

O=C1NC(=O)C(CCC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)(c2cnccn2)N1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.74
▸ MMP2 P08253 8/20 0.68
▸ ADAM17 P78536 6/20 0.67
▸ MMP13 P45452 5/20 0.67
▸ MMP14 P50281 1/20 0.65
▸ ADAMTS4 O75173 1/20 0.64
▸ ADAMTS1 Q9UHI8 1/20 0.59

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
SCHEMBL20708342 0.95 ADAMTS5 (0.76) ADAMTS5MMP2ADAM17MMP13MMP14
SCHEMBL21582806 0.90 ADAMTS5 (0.77) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL17871333 0.85 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14
SCHEMBL20708446 0.85 ADAMTS5 (0.86) ADAMTS5MMP2ADAM17MMP13MMP14
SCHEMBL21582759 0.85 ADAMTS5 (0.75) ADAMTS5MMP2ADAM17MMP13MMP14
SCHEMBL20708334 0.85 ADAMTS5 (0.73) ADAMTS5MMP2ADAM17MMP13MMP14
SCHEMBL19996267 0.81 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL17871555 0.81 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14
SCHEMBL20708324 0.81 ADAMTS5 (0.76) ADAMTS5MMP2ADAM17MMP13MMP14
SCHEMBL20708587 0.81 ADAMTS5 (0.76) ADAMTS5MMP2ADAM17MMP13ADAMTS4

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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