SCHEMBL19709342

SCHEMBL19709342

COc1cc(N2CCN(C(=O)CC[C@]3(c4cccc(C)n4)NC(=O)NC3=O)C[C@@H]2C)cc(F)c1F

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 4/20 0.76
▸ ADAM17 P78536 8/20 0.76
▸ ADAMTS4 O75173 3/20 0.65

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
SCHEMBL19691567 1.00 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17ADAMTS4
SCHEMBL17871455 0.89 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17
SCHEMBL17871526 0.86 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17
SCHEMBL17871384 0.86 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17
SCHEMBL17871520 0.86 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17ADAMTS4
SCHEMBL17871487 0.86 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17
SCHEMBL17871584 0.84 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17ADAMTS4
SCHEMBL17871303 0.84 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17ADAMTS4
SCHEMBL17871523 0.84 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17
SCHEMBL17871263 0.83 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17ADAMTS4

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
WO-2017211666-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2017-12-14 — — WO disclosed
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