SCHEMBL20708326

SCHEMBL20708326

Cc1ccnc(C2(CCC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)[C@@H](C)C3)NC(=O)NC2=O)n1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.84
▸ MMP2 P08253 13/20 0.84
▸ ADAM17 P78536 9/20 0.77
▸ MMP14 P50281 5/20 0.74
▸ ADAMTS4 O75173 2/20 0.66
▸ MMP13 P45452 1/20 0.64

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
SCHEMBL17871127 0.91 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17884727 0.87 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871138 0.85 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871225 0.84 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871102 0.84 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871318 0.82 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14
SCHEMBL17871584 0.81 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871520 0.81 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17884888 0.80 ADAMTS5 (0.87) ADAMTS5MMP2ADAM17MMP14ADAMTS4
SCHEMBL17871202 0.80 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP14ADAMTS4

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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