SCHEMBL28353475

SCHEMBL28353475

CC1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccc(-c2cnccn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 1.00
▸ MMP2 P08253 7/20 1.00
▸ ADAMTS4 O75173 1/20 0.71
▸ ADAM17 P78536 1/20 0.71

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
SCHEMBL17871364 1.00 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL17871085 0.90 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL17871483 0.88 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL17871544 0.88 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL17871101 0.86 ADAMTS5 (0.78) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL17871497 0.86 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL17871336 0.86 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL17871395 0.86 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL17884860 0.86 ADAMTS5 (1.00) ADAMTS5MMP2
SCHEMBL19759026 0.85 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4ADAM17

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
CN-107108579-B Imidazolidine-2, 4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis 加拉帕戈斯股份有限公司 2019-12-17 — — CN disclosed
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