SCHEMBL3457447

SCHEMBL3457447

O=C(NO)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 1.00
ERBB2 P04626 19/20 1.00
MMP2 P08253 16/20 1.00
MMP9 P14780 4/20 0.64
MMP3 P08254 1/20 0.64

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
SCHEMBL2175825 1.00 ADAM10 (1.00) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2172539 1.00 ADAM10 (1.00) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457457 1.00 ADAM10 (1.00) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2175760 0.99 ADAM10 (0.98) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL6528934 0.99 ADAM10 (0.98) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL5622893 0.91 ADAM10 (0.83) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL5622198 0.90 ADAM10 (0.82) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2173649 0.84 ADAM10 (0.80) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457287 0.84 ADAM10 (0.88) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2176195 0.83 ADAM10 (0.73) ADAM10ERBB2MMP2MMP9MMP3

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
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed