SCHEMBL21582749

SCHEMBL21582749

Cn1cc(C2(CCC(=O)N3CCN(c4cc(F)cc(F)c4)CC3)NC(=O)NC2=O)cn1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.75
▸ MMP14 P50281 2/20 0.75
▸ ADAMTS4 O75173 1/20 0.63
▸ MMP13 P45452 5/20 0.60
▸ MMP2 P08253 7/20 0.57
▸ ADAM17 P78536 3/20 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
SCHEMBL17871392 0.86 ADAMTS5 (1.00) ADAMTS5MMP14MMP2
SCHEMBL20708334 0.85 ADAMTS5 (0.73) ADAMTS5MMP14ADAMTS4MMP13MMP2
SCHEMBL20708324 0.83 ADAMTS5 (0.76) ADAMTS5MMP14ADAMTS4MMP13MMP2
SCHEMBL20708446 0.82 ADAMTS5 (0.86) ADAMTS5MMP14ADAMTS4MMP13MMP2
SCHEMBL20708587 0.81 ADAMTS5 (0.76) ADAMTS5ADAMTS4MMP13MMP2ADAM17
SCHEMBL20708305 0.80 ADAMTS5 (0.74) ADAMTS5MMP14ADAMTS4MMP13MMP2
SCHEMBL19996267 0.80 ADAMTS5 (1.00) ADAMTS5ADAMTS4MMP13MMP2ADAM17
SCHEMBL20708670 0.80 ADAMTS5 (0.76) ADAMTS5ADAMTS4MMP13MMP2ADAM17
SCHEMBL20708492 0.79 ADAMTS5 (0.76) ADAMTS5MMP14ADAMTS4MMP13MMP2
SCHEMBL20708684 0.79 ADAMTS5 (0.76) ADAMTS5MMP14ADAMTS4MMP13MMP2

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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