SCHEMBL19709309

SCHEMBL19709309

COc1cccc(N2CCN(C(=O)CCC3(c4cccnc4)NC(O)NC3=O)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 17/20 0.63
▸ ADAMTS4 O75173 3/20 0.63
▸ ADAM17 P78536 8/20 0.60
▸ MMP13 P45452 5/20 0.60
▸ MMP2 P08253 4/20 0.60
▸ ALDH1A1 P00352 1/20 0.52

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
SCHEMBL19691576 0.87 ADAMTS5 (0.82) ADAMTS5ADAMTS4ADAM17MMP13MMP2
SCHEMBL19996701 0.81 ADAMTS5 (0.75) ADAMTS5ADAMTS4ADAM17MMP13MMP2
SCHEMBL19691675 0.77 ADAMTS5 (1.00) ADAMTS5ADAMTS4ADAM17MMP13MMP2
SCHEMBL17871342 0.75 ADAMTS5 (1.00) ADAMTS5ADAMTS4ADAM17MMP13MMP2
SCHEMBL17871295 0.75 ADAMTS5 (1.00) ADAMTS5ADAMTS4ADAM17MMP13MMP2
SCHEMBL20708596 0.74 ADAMTS5 (0.80) ADAMTS5ADAM17MMP2
SCHEMBL22201047 0.74 ADAMTS5 (0.45) ADAMTS5ADAMTS4ADAM17MMP13MMP2
SCHEMBL23901338 0.73 ADAMTS5 (0.71) ADAMTS5ADAM17MMP13MMP2
SCHEMBL22201043 0.73 ADAMTS5 (0.57) ADAMTS5ADAM17MMP13MMP2
SCHEMBL17871553 0.73 ADAMTS5 (1.00) ADAMTS5ADAMTS4ADAM17MMP13MMP2

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
WO-2017211666-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2017-12-14 — — WO disclosed
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