SCHEMBL19996721

SCHEMBL19996721

Cc1ccc(C)c(N2CCN(C(=O)CC[C@@]3(C)NC(=O)NC3=O)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 1.00
▸ ADAM17 P78536 8/20 1.00
▸ MMP2 P08253 2/20 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
SCHEMBL17871556 1.00 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2
SCHEMBL17871251 0.92 ADAMTS5 (0.84) ADAMTS5ADAM17MMP2
SCHEMBL17871239 0.90 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2
SCHEMBL17871129 0.90 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2
SCHEMBL19691504 0.88 ADAMTS5 (0.78) ADAMTS5ADAM17MMP2
SCHEMBL17871597 0.87 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2
SCHEMBL17884521 0.85 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2
SCHEMBL17871365 0.85 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2
SCHEMBL17884873 0.84 ADAMTS5 (0.83) ADAMTS5ADAM17MMP2
SCHEMBL17871287 0.84 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2

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
US-9926281-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis GALAPAGOS NV (BE) 2018-03-27 — — US disclosed
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