SCHEMBL6024427

SCHEMBL6024427

Cc1ccnc(O[C@@H]2CN[C@H](C(=O)N3CCN(c4ccccc4)CC3)[C@@H](C(=O)NCO)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 14/20 0.51
ERBB2 P04626 13/20 0.51
MMP2 P08253 11/20 0.46
MMP9 P14780 7/20 0.40
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MMP3 P08254 4/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MMP1 P03956 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3457323 0.89 ADAM10 (0.55) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL5623013 0.88 ADAM10 (0.52) ADAM10ERBB2MMP2MMP9NPC1
SCHEMBL6024732 0.86 ADAM10 (0.53) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL5622579 0.85 ADAM10 (0.53) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL5623179 0.85 ADAM10 (0.54) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL5621932 0.84 ADAM10 (0.53) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL6025016 0.83 ADAM10 (0.56) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL6025097 0.82 ADAM10 (0.51) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL6024991 0.82 ADAM10 (0.54) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL6024771 0.81 ADAM10 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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