SCHEMBL23745411

SCHEMBL23745411

O=C1NC(=O)[C@](CCC(=O)N2Cc3cccc(F)c3C2)(C2CC2)N1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.62
▸ MMP13 P45452 3/20 0.57
▸ MMP2 P08253 4/20 0.56
▸ ADAMTS4 O75173 1/20 0.55
▸ ADAMTS1 Q9UHI8 1/20 0.55

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
SCHEMBL23745413 0.87 ADAMTS5 (0.69) ADAMTS5MMP13MMP2ADAMTS4ADAMTS1
SCHEMBL31121194 0.87 ADAMTS5 (0.69) ADAMTS5MMP13MMP2ADAMTS4ADAMTS1
SCHEMBL23745406 0.85 ADAMTS5 (0.66) ADAMTS5MMP13MMP2ADAMTS4
SCHEMBL23745412 0.82 ADAMTS5 (0.65) ADAMTS5MMP13MMP2ADAMTS4
SCHEMBL29262510 0.80 ADAMTS5 (0.66) ADAMTS5MMP13MMP2ADAMTS4ADAMTS1
SCHEMBL29835200 0.80 ADAMTS5 (0.57) ADAMTS5MMP13MMP2ADAMTS4
SCHEMBL29250234 0.80 ADAMTS5 (0.57) ADAMTS5MMP13MMP2ADAMTS4
SCHEMBL23745407 0.80 MMP2 (0.57) ADAMTS5MMP13MMP2ADAMTS4ADAMTS1
SCHEMBL29250232 0.80 ADAMTS5 (0.57) ADAMTS5MMP13MMP2ADAMTS4
SCHEMBL23745294 0.79 ADAMTS5 (0.56) ADAMTS5MMP13MMP2ADAMTS4

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
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — WO disclosed
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