SCHEMBL20708334

SCHEMBL20708334

O=C1NC(=O)C(CCC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)(c2cncnc2)N1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.73
▸ MMP2 P08253 8/20 0.73
▸ MMP14 P50281 1/20 0.73
▸ MMP13 P45452 7/20 0.68
▸ ADAMTS4 O75173 1/20 0.68
▸ ADAM17 P78536 5/20 0.65

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
SCHEMBL20708446 0.89 ADAMTS5 (0.86) ADAMTS5MMP2MMP14MMP13ADAMTS4
SCHEMBL21582749 0.85 ADAMTS5 (0.75) ADAMTS5MMP2MMP14MMP13ADAMTS4
SCHEMBL20708305 0.85 ADAMTS5 (0.74) ADAMTS5MMP2MMP14MMP13ADAMTS4
SCHEMBL17871256 0.84 ADAMTS5 (1.00) ADAMTS5MMP2MMP14
SCHEMBL20708255 0.84 ADAMTS5 (0.90) ADAMTS5MMP2MMP14MMP13ADAMTS4
SCHEMBL19996267 0.82 ADAMTS5 (1.00) ADAMTS5MMP2MMP13ADAMTS4ADAM17
SCHEMBL20708587 0.82 ADAMTS5 (0.76) ADAMTS5MMP2MMP13ADAMTS4ADAM17
SCHEMBL19691675 0.81 ADAMTS5 (1.00) ADAMTS5MMP2MMP14MMP13ADAMTS4
SCHEMBL17871295 0.81 ADAMTS5 (1.00) ADAMTS5MMP2MMP13ADAMTS4ADAM17
SCHEMBL20708670 0.80 ADAMTS5 (0.76) ADAMTS5MMP2MMP13ADAMTS4ADAM17

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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