SCHEMBL23745410

SCHEMBL23745410

O=C1NC(=O)[C@](CCC(=O)N2Cc3ccncc3C2)(C2CC2)N1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.65
▸ ADAMTS5 Q9UNA0 18/20 0.58
▸ ADAM17 P78536 2/20 0.53
▸ MMP13 P45452 2/20 0.52
▸ ADAMTS4 O75173 1/20 0.52
▸ ADAMTS1 Q9UHI8 1/20 0.52

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) MMP2ADAMTS5ADAM17MMP13ADAMTS4
SCHEMBL31121194 0.87 ADAMTS5 (0.69) MMP2ADAMTS5ADAM17MMP13ADAMTS4
SCHEMBL23745412 0.82 ADAMTS5 (0.65) MMP2ADAMTS5ADAM17MMP13ADAMTS4
SCHEMBL29835195 0.82 ADAMTS5 (0.66) MMP2ADAMTS5ADAM17MMP13ADAMTS4
SCHEMBL23727712 0.82 ADAMTS5 (0.66) MMP2ADAMTS5ADAM17MMP13ADAMTS4
SCHEMBL23727713 0.82 ADAMTS5 (0.66) MMP2ADAMTS5ADAM17MMP13ADAMTS4
SCHEMBL23745407 0.81 MMP2 (0.57) MMP2ADAMTS5ADAM17MMP13ADAMTS4
SCHEMBL23745340 0.81 ADAMTS5 (0.59) MMP2ADAMTS5ADAM17MMP13ADAMTS4
SCHEMBL29835156 0.81 ADAMTS5 (0.59) MMP2ADAMTS5ADAM17MMP13ADAMTS4
SCHEMBL29250244 0.81 ADAMTS5 (0.59) MMP2ADAMTS5ADAM17MMP13ADAMTS4

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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