SCHEMBL21582783

SCHEMBL21582783

C[C@H]1CN(C(=O)CC[C@@]2(c3ccc(C(F)(F)F)nc3)NC(=O)NC2=O)CCN1c1cc(F)cc(F)c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.81
▸ MMP2 P08253 5/20 0.81
▸ MMP14 P50281 3/20 0.73
▸ ADAM17 P78536 1/20 0.69

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
SCHEMBL17871379 1.00 ADAMTS5 (0.81) ADAMTS5MMP2MMP14ADAM17
SCHEMBL17871235 0.90 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17
SCHEMBL20708600 0.89 ADAMTS5 (0.65) ADAMTS5MMP2MMP14ADAM17
SCHEMBL17871491 0.88 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17
SCHEMBL19996267 0.86 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17
SCHEMBL17871426 0.85 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17
SCHEMBL19759025 0.85 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17
SCHEMBL21582776 0.85 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17
SCHEMBL17871256 0.84 ADAMTS5 (1.00) ADAMTS5MMP2MMP14
SCHEMBL17871463 0.83 ADAMTS5 (1.00) ADAMTS5MMP2MMP14

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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