SCHEMBL21582797

SCHEMBL21582797

CC/C=C(\CCC1(c2ccccn2)NC(=O)NC1=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@@H](C)C1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.80
▸ MMP2 P08253 12/20 0.80
▸ ADAM17 P78536 11/20 0.80
▸ MMP14 P50281 4/20 0.70
▸ ADAMTS4 O75173 1/20 0.70
▸ MMP13 P45452 1/20 0.55
▸ ADAMTS1 Q9UHI8 1/20 0.55

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
SCHEMBL21582805 0.94 ADAMTS5 (0.80) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871225 0.89 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871246 0.83 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871127 0.80 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871420 0.80 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871102 0.79 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL20708493 0.78 ADAMTS5 (0.78) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17884727 0.77 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871189 0.77 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871253 0.76 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4

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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