SCHEMBL19996718

SCHEMBL19996718

C[C@H]1CN(C(=O)CCC2(c3cnccn3)NC(O)NC2=O)CCN1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.78
▸ MMP2 P08253 13/20 0.78
▸ ADAM17 P78536 5/20 0.64
▸ MMP14 P50281 6/20 0.62
▸ ADAMTS4 O75173 2/20 0.57
▸ MMP13 P45452 1/20 0.54

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
SCHEMBL22201064 0.91 ADAMTS5 (0.77) ADAMTS5MMP2ADAM17MMP14
SCHEMBL20708493 0.90 ADAMTS5 (0.78) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871102 0.88 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL22201095 0.85 ADAMTS5 (0.78) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL22201145 0.84 ADAMTS5 (0.78) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL20708596 0.82 ADAMTS5 (0.80) ADAMTS5MMP2ADAM17MMP14
SCHEMBL17871271 0.82 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL22201065 0.81 ADAMTS5 (0.77) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871425 0.78 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871225 0.78 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4

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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