SCHEMBL19996701

SCHEMBL19996701

O=C(CCC1(c2ccccc2)NC(O)NC1=O)N1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.75
▸ MMP2 P08253 11/20 0.75
▸ MMP13 P45452 9/20 0.75
▸ ADAM17 P78536 5/20 0.59
▸ ADAMTS4 O75173 2/20 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
SCHEMBL17871178 0.85 ADAMTS5 (1.00) ADAMTS5MMP2MMP13ADAM17ADAMTS4
SCHEMBL23901338 0.81 ADAMTS5 (0.71) ADAMTS5MMP2MMP13ADAM17
SCHEMBL19709309 0.81 ADAMTS5 (0.63) ADAMTS5MMP2MMP13ADAM17ADAMTS4
SCHEMBL23901276 0.80 ADAMTS5 (0.75) ADAMTS5MMP2MMP13ADAM17
SCHEMBL22201043 0.76 ADAMTS5 (0.57) ADAMTS5MMP2MMP13ADAM17
SCHEMBL23901408 0.76 ADAMTS5 (0.71) ADAMTS5MMP2MMP13ADAM17
SCHEMBL17871415 0.75 ADAMTS5 (1.00) ADAMTS5MMP2MMP13ADAM17
SCHEMBL23901340 0.73 ADAMTS5 (0.73) ADAMTS5MMP2MMP13ADAM17ADAMTS4
SCHEMBL22201051 0.73 ADAMTS5 (0.73) ADAMTS5MMP2ADAM17ADAMTS4
SCHEMBL17871386 0.70 ADAMTS5 (1.00) ADAMTS5MMP2MMP13ADAM17ADAMTS4

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
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