SCHEMBL23745338

SCHEMBL23745338

C[C@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)CCc2ccc(Cl)c(F)c21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 17/20 0.53
▸ ADAM17 P78536 5/20 0.48
▸ ADAMTS4 O75173 2/20 0.48
▸ ADAM10 O14672 1/20 0.48
▸ MMP12 P39900 1/20 0.48
▸ ADAM9 Q13443 1/20 0.48

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
SCHEMBL23745393 0.81 ADAMTS5 (0.47) ADAMTS5ADAMTS4
SCHEMBL30012317 0.78 ADAMTS5 (0.62) ADAMTS5ADAM17ADAMTS4
SCHEMBL31121178 0.78 ADAMTS5 (0.62) ADAMTS5ADAM17ADAMTS4
SCHEMBL31121193 0.78 ADAMTS5 (0.62) ADAMTS5ADAM17ADAMTS4
SCHEMBL23745389 0.78 ADAMTS5 (0.62) ADAMTS5ADAM17ADAMTS4
SCHEMBL23745337 0.78 ADAMTS5 (0.62) ADAMTS5ADAM17ADAMTS4
SCHEMBL23745397 0.78 ADAMTS5 (0.62) ADAMTS5ADAM17ADAMTS4
SCHEMBL23728027 0.78 ADAMTS5 (0.62) ADAMTS5ADAM17ADAMTS4
SCHEMBL23745417 0.76 ADAMTS5 (0.67) ADAMTS5ADAM17ADAMTS4ADAM10MMP12
SCHEMBL3787633 0.75 HTR2A (0.49) —

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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