SCHEMBL19996710

SCHEMBL19996710

C[C@H]1CN(C(=O)CCC2(C3CC3)NC(O)NC2=O)CCN1c1cc(Cl)ccn1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.77
▸ MMP2 P08253 8/20 0.77
▸ ADAM17 P78536 2/20 0.56
▸ ADAMTS4 O75173 1/20 0.56
▸ MMP13 P45452 1/20 0.52
▸ MMP14 P50281 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
SCHEMBL19996685 0.89 ADAMTS5 (0.60) ADAMTS5MMP2ADAM17ADAMTS4MMP13
SCHEMBL17871423 0.87 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17ADAMTS4MMP13
SCHEMBL19996714 0.85 ADAMTS5 (0.74) ADAMTS5MMP2ADAM17ADAMTS4MMP13
SCHEMBL19996703 0.85 ADAMTS5 (0.74) ADAMTS5MMP2ADAM17ADAMTS4MMP13
SCHEMBL22201060 0.81 ADAMTS5 (0.78) ADAMTS5MMP2ADAM17ADAMTS4MMP13
SCHEMBL20708568 0.75 ADAMTS5 (0.77) ADAMTS5MMP2ADAM17ADAMTS4
SCHEMBL17871094 0.75 ADAMTS5 (0.79) ADAMTS5MMP2ADAM17ADAMTS4MMP13
SCHEMBL17871447 0.75 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17ADAMTS4MMP13
SCHEMBL17871465 0.74 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17ADAMTS4MMP13
SCHEMBL20708467 0.74 ADAMTS5 (0.75) ADAMTS5MMP2ADAM17ADAMTS4MMP13

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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