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SCHEMBL21582734

SCHEMBL21582734

CC(C[C@@]1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cncc(F)c2)[C@@H](C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 1.00
▸ MMP2 P08253 9/20 1.00
▸ MMP14 P50281 7/20 0.77
▸ ADAM17 P78536 2/20 0.72
▸ MMP13 P45452 2/20 0.70
▸ ADAMTS4 O75173 1/20 0.68

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
SCHEMBL17871351 1.00 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17871280 0.90 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17871549 0.90 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17871551 0.88 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17871513 0.87 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17871424 0.87 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17871422 0.87 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17871114 0.87 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17871352 0.86 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17871221 0.86 ADAMTS5 (0.84) ADAMTS5MMP2MMP14ADAM17MMP13

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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