SCHEMBL21582756

SCHEMBL21582756

C[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCN1c1cncc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 1.00
▸ MMP2 P08253 9/20 0.82
▸ ADAMTS4 O75173 1/20 0.82
▸ MMP14 P50281 1/20 0.82

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
SCHEMBL17884989 1.00 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4MMP14
SCHEMBL17871093 0.90 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4MMP14
SCHEMBL17871466 0.90 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4MMP14
Aldumastat SCHEMBL17871211 0.90 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4MMP14
Aldumastat SCHEMBL17884630 0.90 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4MMP14
Aldumastat SCHEMBL17871325 0.90 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4MMP14
SCHEMBL17871198 0.88 MMP2 (1.00) ADAMTS5MMP2ADAMTS4MMP14
SCHEMBL19691565 0.88 ADAMTS5 (0.80) ADAMTS5MMP2ADAMTS4
SCHEMBL17871282 0.87 ADAMTS5 (0.79) ADAMTS5MMP2ADAMTS4MMP14
SCHEMBL17884857 0.87 ADAMTS5 (1.00) ADAMTS5MMP2ADAMTS4MMP14

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-3575294-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Les Laboratoires Servier (FR) 2019-12-04 — — EP disclosed
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