SCHEMBL22892283

SCHEMBL22892283

COc1cncc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)CC2)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 3/20 0.77
▸ ADAMTS5 Q9UNA0 18/20 0.75
▸ MMP2 P08253 7/20 0.70
▸ ADAM17 P78536 3/20 0.66
▸ MMP13 P45452 3/20 0.64
▸ ADAMTS1 Q9UHI8 1/20 0.64

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
SCHEMBL20708423 0.88 ADAMTS5 (0.76) ADAMTS4ADAMTS5MMP2ADAM17MMP13
SCHEMBL19691587 0.87 ADAMTS4 (1.00) ADAMTS4ADAMTS5MMP2ADAM17MMP13
SCHEMBL19691565 0.87 ADAMTS5 (0.80) ADAMTS4ADAMTS5MMP2ADAM17
SCHEMBL20708268 0.87 ADAMTS5 (0.80) ADAMTS4ADAMTS5MMP2ADAM17MMP13
SCHEMBL20708294 0.86 ADAMTS5 (0.75) ADAMTS4ADAMTS5MMP2ADAM17MMP13
SCHEMBL19691547 0.85 ADAMTS5 (1.00) ADAMTS4ADAMTS5MMP2ADAM17MMP13
SCHEMBL20708321 0.85 MMP2 (0.77) ADAMTS4ADAMTS5MMP2ADAM17MMP13
SCHEMBL22892307 0.84 ADAMTS5 (0.78) ADAMTS4ADAMTS5MMP2ADAM17MMP13
SCHEMBL20708307 0.84 ADAMTS5 (0.76) ADAMTS4ADAMTS5MMP2ADAM17MMP13
SCHEMBL20708300 0.83 MMP2 (0.78) ADAMTS4ADAMTS5MMP2ADAM17MMP13

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-3468955-B1 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) 2021-01-06 — — EP disclosed
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