SCHEMBL21582759

SCHEMBL21582759

O=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)(c2cnccn2)N1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.75
▸ MMP2 P08253 13/20 0.75
▸ ADAM17 P78536 8/20 0.68
▸ MMP13 P45452 8/20 0.68
▸ ADAMTS1 Q9UHI8 1/20 0.68
▸ ADAMTS4 O75173 1/20 0.57
▸ MMP14 P50281 1/20 0.57

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
SCHEMBL21582806 0.89 ADAMTS5 (0.77) ADAMTS5MMP2ADAM17MMP13ADAMTS1
SCHEMBL17871102 0.86 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17ADAMTS4MMP14
SCHEMBL20708342 0.85 ADAMTS5 (0.76) ADAMTS5MMP2ADAM17MMP13ADAMTS1
SCHEMBL20708305 0.85 ADAMTS5 (0.74) ADAMTS5MMP2ADAM17MMP13ADAMTS1
SCHEMBL17871313 0.81 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP13ADAMTS1
SCHEMBL17871271 0.80 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17ADAMTS4MMP14
SCHEMBL17871151 0.79 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP13ADAMTS1
SCHEMBL20708598 0.79 ADAMTS5 (0.87) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL20708395 0.79 ADAMTS5 (0.81) ADAMTS5MMP2ADAM17MMP13ADAMTS1
SCHEMBL17884886 0.78 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP13ADAMTS1

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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