SCHEMBL22892307

SCHEMBL22892307

COc1cncc(N2CCN(C(=O)C(C)CC3(C4CC4)NC(=O)NC3=O)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.78
▸ ADAMTS4 O75173 4/20 0.75
▸ MMP2 P08253 6/20 0.68
▸ ADAM17 P78536 5/20 0.68
▸ MMP13 P45452 2/20 0.68
▸ MMP14 P50281 2/20 0.61

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
SCHEMBL20708614 0.88 ADAMTS5 (0.77) ADAMTS5ADAMTS4MMP2ADAM17MMP13
SCHEMBL20708383 0.88 ADAMTS5 (0.81) ADAMTS5ADAMTS4MMP2ADAM17MMP13
SCHEMBL20708622 0.88 ADAMTS5 (0.77) ADAMTS5ADAMTS4MMP2ADAM17MMP13
SCHEMBL19691502 0.88 ADAMTS5 (1.00) ADAMTS5ADAMTS4MMP2ADAM17MMP13
SCHEMBL19709425 0.88 ADAMTS5 (1.00) ADAMTS5ADAMTS4MMP2ADAM17MMP13
SCHEMBL19691681 0.86 ADAMTS5 (1.00) ADAMTS5ADAMTS4MMP2ADAM17MMP13
SCHEMBL19691652 0.86 ADAMTS5 (1.00) ADAMTS5ADAMTS4MMP2ADAM17MMP13
SCHEMBL19691654 0.86 ADAMTS5 (1.00) ADAMTS5ADAMTS4MMP2ADAM17MMP13
SCHEMBL19709557 0.86 ADAMTS5 (1.00) ADAMTS5ADAMTS4MMP2ADAM17MMP13
SCHEMBL20708634 0.85 ADAMTS5 (0.77) ADAMTS5ADAMTS4MMP2ADAM17MMP13

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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