SCHEMBL19996696

SCHEMBL19996696

Cc1ccc(C2(CCC(=O)N3CCN(c4cc(F)cc(F)c4)[C@@H](C)C3)N[C@@H](O)NC2=O)cn1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.79
▸ MMP2 P08253 6/20 0.79
▸ ADAM17 P78536 1/20 0.67
▸ MMP14 P50281 4/20 0.62

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
SCHEMBL17871235 0.88 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14
SCHEMBL22201095 0.88 ADAMTS5 (0.78) ADAMTS5MMP2ADAM17MMP14
SCHEMBL17871426 0.84 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14
SCHEMBL22201106 0.82 ADAMTS5 (0.77) ADAMTS5MMP2ADAM17MMP14
SCHEMBL22201094 0.82 ADAMTS5 (0.60) ADAMTS5MMP2ADAM17MMP14
SCHEMBL22201092 0.82 ADAMTS5 (0.77) ADAMTS5MMP2ADAM17MMP14
SCHEMBL17871183 0.81 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14
SCHEMBL19996719 0.80 ADAMTS5 (0.79) ADAMTS5MMP2ADAM17MMP14
SCHEMBL17871372 0.80 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14
SCHEMBL17871491 0.80 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14

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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