SCHEMBL3457323

SCHEMBL3457323

O=C(NCO)[C@H]1C[C@H](Oc2ccccn2)CN[C@@H]1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 14/20 0.55
ERBB2 P04626 14/20 0.55
MMP2 P08253 11/20 0.49
HRH3 Q9Y5N1 1/20 0.47
MMP9 P14780 5/20 0.42
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MMP1 P03956 1/20 0.39
EPHX2 P34913 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MMP3 P08254 3/20 0.38
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2172953 0.90 ADAM10 (0.67) ADAM10ERBB2MMP2HRH3MMP9
SCHEMBL6024427 0.89 ADAM10 (0.51) ADAM10ERBB2MMP2HRH3MMP9
SCHEMBL5622579 0.87 ADAM10 (0.53) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL5622759 0.87 ADAM10 (0.56) ADAM10ERBB2MMP2HRH3MMP9
SCHEMBL6025016 0.87 ADAM10 (0.56) ADAM10ERBB2MMP2HRH3MMP9
SCHEMBL6024991 0.85 ADAM10 (0.54) ADAM10ERBB2MMP2HRH3MMP9
SCHEMBL6025097 0.84 ADAM10 (0.51) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL3457319 0.83 ADAM10 (0.49) ADAM10ERBB2MMP2HRH3MMP9
SCHEMBL5621804 0.83 ADAM10 (0.56) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL3458422 0.83 ADAM10 (0.56) ADAM10ERBB2MMP2MMP9CTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed
EP-1678167-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES Incyte Corporation (US) 2006-07-12 EP disclosed
WO-2005037826-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2005-04-28 WO disclosed