SCHEMBL20708571

SCHEMBL20708571

C[C@@H](C[C@H]1NC(=O)NC1=O)C(=O)N1CCN(c2ccc(F)c(-c3cn[nH]c3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.61
▸ MMP2 P08253 9/20 0.61
▸ ADAM17 P78536 5/20 0.61
▸ MMP14 P50281 2/20 0.54
▸ MMP13 P45452 3/20 0.45

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
SCHEMBL21582781 1.00 ADAMTS5 (0.61) ADAMTS5MMP2ADAM17MMP14MMP13
SCHEMBL20708349 0.86 ADAMTS5 (0.64) ADAMTS5MMP2ADAM17MMP14
SCHEMBL21582790 0.86 ADAMTS5 (0.61) ADAMTS5MMP2ADAM17MMP14MMP13
SCHEMBL20708483 0.86 ADAMTS5 (0.61) ADAMTS5MMP2ADAM17MMP14MMP13
SCHEMBL20708471 0.86 ADAMTS5 (0.64) ADAMTS5MMP2ADAM17MMP14
SCHEMBL21582750 0.84 ADAMTS5 (0.76) ADAMTS5MMP2ADAM17MMP14MMP13
SCHEMBL20708354 0.82 ADAMTS5 (0.77) ADAMTS5MMP2ADAM17MMP14MMP13
SCHEMBL17871566 0.76 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14MMP13
SCHEMBL22892302 0.76 ADAMTS5 (0.69) ADAMTS5MMP2ADAM17MMP14MMP13
SCHEMBL19709398 0.75 ADAMTS5 (0.68) ADAMTS5MMP2ADAM17MMP14

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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