SCHEMBL21582737

SCHEMBL21582737

O=C1NC(=O)C(CCC(=O)N2CCN(c3cc(F)cc(-c4cn[nH]c4)c3)CC2)(C2CC2)N1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 18/20 0.78
▸ MMP2 P08253 6/20 0.78
▸ ADAMTS4 O75173 4/20 0.69
▸ ADAM17 P78536 2/20 0.63
▸ MMP13 P45452 3/20 0.62
▸ ADAMTS1 Q9UHI8 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
SCHEMBL20708424 0.90 ADAMTS5 (0.65) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL17871092 0.87 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4ADAM17MMP14
SCHEMBL17884653 0.87 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4ADAM17MMP14
SCHEMBL20708570 0.87 ADAMTS5 (0.77) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL20708258 0.87 ADAMTS5 (0.82) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL20708611 0.85 ADAMTS5 (0.79) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL20708429 0.83 ADAMTS5 (0.86) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL20708294 0.82 ADAMTS5 (0.75) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL19691547 0.82 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL20708491 0.80 ADAMTS5 (0.76) ADAMTS5MMP2ADAMTS4ADAM17MMP13

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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