SCHEMBL23745404

SCHEMBL23745404

O=C1NC(=O)C(CCC(=O)N2CCc3cc(C(F)(F)F)ccc3C2)N1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 15/20 0.63
▸ ADAMTS4 O75173 2/20 0.49
▸ ADAM17 P78536 4/20 0.48
▸ ADAM10 O14672 1/20 0.48
▸ MMP12 P39900 1/20 0.48
▸ ADAM9 Q13443 1/20 0.48
▸ FAP Q12884 1/20 0.42

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
SCHEMBL30013015 0.92 ADAMTS5 (0.64) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL23745417 0.79 ADAMTS5 (0.67) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL31566097 0.78 FAP (0.47) ADAMTS5FAP
SCHEMBL23745212 0.78 ADAMTS5 (0.52) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL23745421 0.77 ADAMTS5 (0.66) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL29835185 0.76 ADAMTS5 (0.54) ADAMTS5ADAMTS4ADAM17
SCHEMBL29250233 0.76 ADAMTS5 (0.54) ADAMTS5ADAMTS4ADAM17
SCHEMBL23745222 0.75 ADAMTS5 (0.53) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL30013124 0.75 ADAMTS5 (0.54) ADAMTS5ADAM17FAP
SCHEMBL23745408 0.75 ADAMTS5 (0.58) ADAMTS5ADAMTS4ADAM17ADAM10MMP12

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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