SCHEMBL20708577

SCHEMBL20708577

O=C1NC(=O)[C@@H](CCC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)N1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 18/20 0.78
▸ ADAMTS4 O75173 2/20 0.72
▸ ADAM17 P78536 2/20 0.72
▸ ADAM10 O14672 1/20 0.72
▸ MMP12 P39900 1/20 0.72
▸ ADAM9 Q13443 1/20 0.72
▸ MMP2 P08253 1/20 0.58
▸ MMP13 P45452 1/20 0.57
▸ CYP2D6 P10635 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ SSTR1 P30872 1/20 0.51
▸ SSTR2 P30874 1/20 0.51
▸ SSTR4 P31391 1/20 0.51
▸ SSTR3 P32745 1/20 0.51

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
SCHEMBL20708337 0.85 ADAMTS5 (0.80) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL20708412 0.85 ADAMTS5 (0.80) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL20708333 0.85 ADAMTS5 (1.00) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL20708392 0.85 ADAMTS5 (1.00) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL20708541 0.84 ADAMTS5 (1.00) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL20708262 0.82 ADAMTS5 (0.83) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL22892377 0.82 ADAMTS5 (0.73) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL19691696 0.82 ADAMTS5 (0.73) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL19691629 0.82 ADAMTS5 (0.67) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL21403972 0.82 ADAMTS5 (0.67) ADAMTS5ADAMTS4ADAM17ADAM10MMP12

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-3237406-B1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-02-06 — — EP disclosed
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