SCHEMBL22892290

SCHEMBL22892290

COc1cc(N2CCN(C(=O)CCC3(C)NC(=O)NC3=O)CC2)cc(F)c1C

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 2/20 0.74
▸ ADAMTS5 Q9UNA0 19/20 0.72
▸ MMP2 P08253 6/20 0.69
▸ ADAM17 P78536 3/20 0.66

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
SCHEMBL19691552 0.91 ADAMTS5 (0.74) ADAMTS4ADAMTS5MMP2ADAM17
SCHEMBL19691551 0.91 ADAMTS5 (0.74) ADAMTS4ADAMTS5MMP2ADAM17
SCHEMBL19691526 0.90 ADAMTS5 (0.77) ADAMTS4ADAMTS5MMP2ADAM17
SCHEMBL19691611 0.90 ADAMTS5 (0.83) ADAMTS4ADAMTS5MMP2ADAM17
SCHEMBL19691651 0.88 ADAMTS5 (0.80) ADAMTS4ADAMTS5MMP2ADAM17
SCHEMBL19691622 0.86 ADAMTS5 (0.91) ADAMTS4ADAMTS5MMP2ADAM17
SCHEMBL22892262 0.86 ADAMTS5 (0.83) ADAMTS4ADAMTS5MMP2ADAM17
SCHEMBL19691535 0.86 ADAMTS5 (0.83) ADAMTS4ADAMTS5MMP2ADAM17
SCHEMBL19691542 0.85 ADAMTS4 (1.00) ADAMTS4ADAMTS5MMP2ADAM17
SCHEMBL19691638 0.84 ADAMTS5 (1.00) ADAMTS4ADAMTS5MMP2ADAM17

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-3468955-B1 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) 2021-01-06 — — EP disclosed
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