SCHEMBL20708475

SCHEMBL20708475

C[C@H]1CN(C(=O)CCC2(c3cnccn3)CNC(=O)N2)CCN1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.74
▸ ADAM17 P78536 8/20 0.74
▸ MMP2 P08253 6/20 0.67
▸ MMP14 P50281 2/20 0.56

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
SCHEMBL17871425 0.85 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2MMP14
SCHEMBL22201064 0.80 ADAMTS5 (0.77) ADAMTS5ADAM17MMP2MMP14
SCHEMBL17871555 0.80 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2MMP14
SCHEMBL20708628 0.78 ADAMTS5 (0.75) ADAMTS5ADAM17MMP2MMP14
SCHEMBL17871271 0.76 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2MMP14
SCHEMBL17871333 0.76 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2MMP14
SCHEMBL17871102 0.76 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2MMP14
SCHEMBL17871420 0.75 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2MMP14
SCHEMBL17871492 0.74 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2MMP14
SCHEMBL17871451 0.74 ADAMTS5 (1.00) ADAMTS5ADAM17MMP2MMP14

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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