SCHEMBL19996698

SCHEMBL19996698

Cc1ccccc1N1CCN(C(=O)CCC2(C)NC(O)NC2=O)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.69
▸ MMP1 P03956 1/20 0.57
▸ ADAM17 P78536 3/20 0.53
▸ AR P10275 1/20 0.51
▸ MMP2 P08253 1/20 0.50

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
SCHEMBL19996668 0.89 ADAMTS5 (0.59) ADAMTS5MMP2
SCHEMBL23901404 0.86 ADAMTS5 (0.71) ADAMTS5MMP1ADAM17MMP2
SCHEMBL23901405 0.86 ADAMTS5 (0.71) ADAMTS5ADAM17MMP2
SCHEMBL23901410 0.86 ADAMTS5 (0.67) ADAMTS5ADAM17MMP2
SCHEMBL23901408 0.85 ADAMTS5 (0.71) ADAMTS5MMP1ADAM17ARMMP2
SCHEMBL25948021 0.83 ADAMTS5 (0.72) ADAMTS5MMP1ADAM17AR
SCHEMBL17871597 0.82 ADAMTS5 (1.00) ADAMTS5MMP1ADAM17MMP2
SCHEMBL23901205 0.80 ADAMTS5 (0.70) ADAMTS5ADAM17MMP2
SCHEMBL23901420 0.79 ADAMTS5 (0.71) ADAMTS5ADAM17MMP2
SCHEMBL22892257 0.79 ADAMTS5 (0.56) ADAMTS5MMP1ADAM17MMP2

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
US-9926281-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis GALAPAGOS NV (BE) 2018-03-27 — — US disclosed
Send feedback