SCHEMBL21582729

SCHEMBL21582729

Cc1c(F)cccc1N1CCN(C(=O)CC[C@]2(C3CC3)NC(=O)NC2=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 18/20 1.00
▸ MMP2 P08253 4/20 0.71
▸ ADAM17 P78536 2/20 0.68
▸ MMP13 P45452 3/20 0.66
▸ ADAMTS4 O75173 4/20 0.66
▸ MMP1 P03956 1/20 0.66
▸ MMP12 P39900 1/20 0.66
▸ ADAMTS1 Q9UHI8 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
SCHEMBL17871366 1.00 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL17871361 0.90 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL25947764 0.90 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL17884522 0.89 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL17871326 0.86 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL17871090 0.85 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17
SCHEMBL17871340 0.83 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL20708278 0.82 ADAMTS5 (0.77) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL24187495 0.82 ADAMTS5 (0.70) ADAMTS5MMP2ADAM17MMP13ADAMTS4
SCHEMBL17871409 0.82 ADAMTS5 (0.77) ADAMTS5MMP2ADAM17MMP13ADAMTS4

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
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