SCHEMBL17871478

SCHEMBL17871478

C[C@@H](C[C@@]1(C)NC(=O)NC1=O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@@H](C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 1.00
▸ MMP2 P08253 11/20 1.00
▸ MMP13 P45452 2/20 1.00
▸ MMP14 P50281 9/20 0.87
▸ ADAM17 P78536 2/20 0.80
▸ ADAMTS4 O75173 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
SCHEMBL17884877 1.00 ADAMTS5 (1.00) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL17871479 1.00 ADAMTS5 (1.00) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL17871446 0.93 ADAMTS5 (1.00) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL20694908 0.93 ADAMTS5 (1.00) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL17871229 0.93 ADAMTS5 (1.00) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL17871226 0.93 ADAMTS5 (1.00) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL19691603 0.91 ADAMTS5 (1.00) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL19709423 0.91 ADAMTS5 (1.00) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL17871214 0.89 ADAMTS5 (1.00) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL17871249 0.89 ADAMTS5 (1.00) ADAMTS5MMP2MMP13MMP14ADAM17

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237406-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Galapagos NV (BE) 2017-11-01 — — EP disclosed
WO-2016102347-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS GALAPAGOS NV (BE) 2016-06-30 — — WO disclosed
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