SCHEMBL19709538

SCHEMBL19709538

COc1cc(N2CCN(C(=O)CCC3(C)NC(O)NC3=O)CC2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 15/20 0.58
▸ MMP2 P08253 8/20 0.58
▸ ADAMTS4 O75173 2/20 0.55
▸ ADAM17 P78536 5/20 0.54
▸ MMP13 P45452 3/20 0.51
▸ CCR1 P32246 4/20 0.50

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
SCHEMBL19709343 0.88 ADAMTS5 (0.59) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL21473409 0.87 ADAMTS5 (0.77) ADAMTS5MMP2ADAMTS4
SCHEMBL21474467 0.85 ADAMTS5 (0.80) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL19691545 0.85 ADAMTS5 (0.80) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL23901205 0.85 ADAMTS5 (0.70) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL22892257 0.83 ADAMTS5 (0.56) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL23901410 0.81 ADAMTS5 (0.67) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL23901420 0.80 ADAMTS5 (0.71) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL19996688 0.80 ADAMTS5 (0.71) ADAMTS5MMP2ADAMTS4ADAM17MMP13
SCHEMBL23901404 0.77 ADAMTS5 (0.71) ADAMTS5MMP2ADAMTS4ADAM17

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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