SCHEMBL21582804

SCHEMBL21582804

C[C@@H]1CN(C(=O)CCC2NC(=O)NC2=O)CCN1c1cc(F)cc(F)c1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.73
▸ MMP2 P08253 4/20 0.59
▸ MMP14 P50281 3/20 0.59
▸ ADAMTS4 O75173 2/20 0.59
▸ ADAM10 O14672 1/20 0.54
▸ MMP12 P39900 1/20 0.54
▸ ADAM17 P78536 1/20 0.54
▸ ADAM9 Q13443 1/20 0.54

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
SCHEMBL19691712 0.86 ADAMTS5 (0.73) ADAMTS5MMP2MMP14ADAMTS4ADAM10
SCHEMBL19691628 0.86 ADAMTS5 (0.85) ADAMTS5ADAMTS4ADAM17
SCHEMBL19691549 0.86 ADAMTS5 (0.85) ADAMTS5ADAMTS4ADAM17
SCHEMBL19691554 0.84 ADAMTS5 (1.00) ADAMTS5ADAMTS4ADAM17
SCHEMBL19691477 0.84 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAMTS4ADAM17
SCHEMBL19691524 0.84 ADAMTS5 (0.90) ADAMTS5ADAMTS4ADAM10MMP12ADAM17
SCHEMBL20708337 0.83 ADAMTS5 (0.80) ADAMTS5ADAMTS4ADAM10MMP12ADAM17
SCHEMBL20708412 0.83 ADAMTS5 (0.80) ADAMTS5ADAMTS4ADAM10MMP12ADAM17
SCHEMBL17871444 0.81 ADAMTS5 (0.55) ADAMTS5MMP2MMP14ADAMTS4
SCHEMBL17871443 0.80 ADAMTS5 (0.58) ADAMTS5MMP2MMP14ADAMTS4

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-3575294-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Les Laboratoires Servier (FR) 2019-12-04 — — EP disclosed
Send feedback