SCHEMBL20708686

SCHEMBL20708686

O=C1NC(=O)C(CCC(=O)N2CCN(c3cc(F)cc(Cl)c3)CC2)(c2ncccn2)N1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.74
▸ MMP2 P08253 11/20 0.74
▸ ADAM17 P78536 8/20 0.70
▸ MMP13 P45452 10/20 0.64
▸ ADAMTS1 Q9UHI8 1/20 0.64
▸ ADAMTS4 O75173 1/20 0.60

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
SCHEMBL20708255 0.86 ADAMTS5 (0.90) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL20708342 0.86 ADAMTS5 (0.76) ADAMTS5MMP2ADAM17MMP13ADAMTS1
SCHEMBL17871308 0.85 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17
SCHEMBL20708279 0.84 ADAMTS5 (0.76) ADAMTS5MMP2ADAM17MMP13ADAMTS1
SCHEMBL17884886 0.82 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP13ADAMTS1
SCHEMBL17871203 0.81 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL20708446 0.80 ADAMTS5 (0.86) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL17871335 0.80 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL20708305 0.80 ADAMTS5 (0.74) ADAMTS5MMP2ADAM17MMP13ADAMTS1
SCHEMBL17871238 0.79 ADAMTS5 (1.00) ADAMTS5MMP2

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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