SCHEMBL23745407

SCHEMBL23745407

O=C1NC(=O)[C@](CCC(=O)N2Cc3cccnc3C2)(C2CC2)N1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.57
▸ ADAMTS5 Q9UNA0 19/20 0.57
▸ ADAMTS4 O75173 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ ADAMTS1 Q9UHI8 1/20 0.52
▸ ADAM17 P78536 1/20 0.51

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) MMP2ADAMTS5ADAMTS4MMP13ADAMTS1
SCHEMBL31121194 0.87 ADAMTS5 (0.69) MMP2ADAMTS5ADAMTS4MMP13ADAMTS1
SCHEMBL23745410 0.81 MMP2 (0.65) MMP2ADAMTS5ADAMTS4MMP13ADAMTS1
SCHEMBL29262510 0.80 ADAMTS5 (0.66) MMP2ADAMTS5ADAMTS4MMP13ADAMTS1
SCHEMBL23745411 0.80 ADAMTS5 (0.62) MMP2ADAMTS5ADAMTS4MMP13ADAMTS1
SCHEMBL23745396 0.78 ADAMTS5 (0.72) MMP2ADAMTS5ADAMTS4MMP13ADAMTS1
SCHEMBL23727487 0.78 ADAMTS5 (0.65) MMP2ADAMTS5ADAMTS4MMP13ADAMTS1
SCHEMBL23745406 0.78 ADAMTS5 (0.66) MMP2ADAMTS5ADAMTS4MMP13ADAM17
SCHEMBL23727486 0.78 ADAMTS5 (0.65) MMP2ADAMTS5ADAMTS4MMP13ADAMTS1
SCHEMBL29835187 0.78 ADAMTS5 (0.65) MMP2ADAMTS5ADAMTS4MMP13ADAMTS1

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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