SCHEMBL23745332

SCHEMBL23745332

C[C@H]1c2ccccc2CN1C(=O)CC[C@H]1NC(=O)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 14/20 0.52
▸ ADAMTS4 O75173 2/20 0.52
▸ ADAM17 P78536 4/20 0.43
▸ ADAM10 O14672 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ ADAM9 Q13443 1/20 0.43
▸ ACE P12821 2/20 0.41
▸ DRD1 P21728 1/20 0.38
▸ DRD4 P21917 1/20 0.38

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
SCHEMBL23745421 0.79 ADAMTS5 (0.66) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL23745290 0.77 ADAMTS5 (0.45) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL23745414 0.72 ADAMTS5 (0.55) ADAMTS5ADAMTS4ADAM17
SCHEMBL23745422 0.72 ADAMTS5 (0.55) ADAMTS5ADAMTS4ADAM17
SCHEMBL21404021 0.71 ADAMTS5 (0.61) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL19691922 0.71 ADAMTS5 (0.61) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL23537246 0.70 DRD4 (0.50) ACEDRD1DRD4
SCHEMBL23745420 0.70 ADAMTS5 (0.56) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL19692450 0.69 ADAM17 (0.68) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL19692451 0.69 ADAM17 (0.68) 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
Send feedback