SCHEMBL20708628

SCHEMBL20708628

C[C@H]1CN(C(=O)CCC2(c3cccnc3)CNC(=O)N2)CCN1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.75
▸ MMP2 P08253 12/20 0.75
▸ MMP14 P50281 5/20 0.75
▸ ADAM17 P78536 3/20 0.75
▸ ADAMTS4 O75173 1/20 0.60
▸ MMP13 P45452 1/20 0.58

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
SCHEMBL17871318 0.86 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17
SCHEMBL17871353 0.81 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17871210 0.81 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17ADAMTS4
SCHEMBL20708475 0.78 ADAMTS5 (0.74) ADAMTS5MMP2MMP14ADAM17
SCHEMBL17871451 0.77 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17
SCHEMBL17871492 0.77 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17
SCHEMBL17871174 0.77 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17
SCHEMBL17871102 0.77 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17ADAMTS4
SCHEMBL17871127 0.76 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17ADAMTS4
SCHEMBL20708596 0.76 ADAMTS5 (0.80) ADAMTS5MMP2MMP14ADAM17

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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