SCHEMBL4564701

SCHEMBL4564701

Cc1nn(C)c(C)c1Cc1ccc(C(=O)N[C@H]2CCOC[C@]23NC(=O)NC3=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.37
MMP12 P39900 7/20 0.37
MMP7 P09237 5/20 0.37
MMP3 P08254 5/20 0.37
CHRM4 P08173 1/20 0.36
MMP2 P08253 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL4060514 1.00 ADAM17 (0.37) ADAM17MMP12MMP7MMP3CHRM4
SCHEMBL4060509 1.00 ADAM17 (0.37) ADAM17MMP12MMP7MMP3CHRM4
SCHEMBL4050516 0.85 AR (0.46) ADAM17MMP12MMP7MMP3MMP2
SCHEMBL4050512 0.85 AR (0.46) ADAM17MMP12MMP7MMP3MMP2
SCHEMBL4056371 0.83 ADAM17 (0.45) ADAM17MMP12MMP7MMP3MMP2
SCHEMBL4056379 0.83 ADAM17 (0.45) ADAM17MMP12MMP7MMP3MMP2
SCHEMBL4054238 0.79 MMP3 (0.59) ADAM17MMP12MMP7MMP3MMP2
SCHEMBL4054243 0.79 MMP3 (0.59) ADAM17MMP12MMP7MMP3MMP2
SCHEMBL4057743 0.79 MMP12 (0.61) ADAM17MMP12MMP7MMP3MMP2
SCHEMBL4057747 0.79 MMP12 (0.61) ADAM17MMP12MMP7MMP3MMP2

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-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP claimed