SCHEMBL22892262

SCHEMBL22892262

COc1cc(N2CCN(C(=O)CC[C@@]3(C)NC(=O)NC3=O)CC2)cc(Cl)c1F

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.83
▸ ADAMTS4 O75173 3/20 0.75
▸ ADAM17 P78536 4/20 0.72
▸ MMP2 P08253 8/20 0.70
▸ MMP13 P45452 1/20 0.63

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
SCHEMBL19691535 1.00 ADAMTS5 (0.83) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL19691526 0.93 ADAMTS5 (0.77) ADAMTS5ADAMTS4ADAM17MMP2
SCHEMBL19691638 0.91 ADAMTS5 (1.00) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL19691551 0.91 ADAMTS5 (0.74) ADAMTS5ADAMTS4ADAM17MMP2
SCHEMBL19691552 0.91 ADAMTS5 (0.74) ADAMTS5ADAMTS4ADAM17MMP2
SCHEMBL19691622 0.89 ADAMTS5 (0.91) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL19691611 0.89 ADAMTS5 (0.83) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL19691545 0.87 ADAMTS5 (0.80) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL21474467 0.87 ADAMTS5 (0.80) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL19691553 0.86 ADAMTS5 (1.00) ADAMTS5ADAMTS4ADAM17MMP2

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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