SCHEMBL20708301

SCHEMBL20708301

Cc1cccc(C2(CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)NC(=O)NC2=O)n1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.76
▸ ADAM17 P78536 13/20 0.76
▸ MMP2 P08253 12/20 0.69
▸ MMP13 P45452 8/20 0.69
▸ ADAMTS1 Q9UHI8 1/20 0.61

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
SCHEMBL20708619 0.92 ADAMTS5 (0.76) ADAMTS5ADAM17MMP2MMP13
SCHEMBL20708504 0.90 ADAMTS5 (0.79) ADAMTS5ADAM17MMP2MMP13ADAMTS1
SCHEMBL20708363 0.88 ADAMTS5 (0.67) ADAMTS5ADAM17MMP2MMP13ADAMTS1
SCHEMBL21582774 0.86 ADAMTS5 (0.76) ADAMTS5ADAM17MMP2MMP13
SCHEMBL17871263 0.86 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2
SCHEMBL20708583 0.86 ADAMTS5 (0.77) ADAMTS5ADAM17MMP2MMP13
SCHEMBL21582700 0.82 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2MMP13
SCHEMBL17871476 0.82 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2MMP13
SCHEMBL17871384 0.81 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2
SCHEMBL17871303 0.81 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
EP-3237406-B1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-02-06 — — EP disclosed
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