SCHEMBL6607255

SCHEMBL6607255

Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(CCN(C(=O)O)C(C)(C)C)CC3)cc2)c2ccccc2n1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.79
MMP13 P45452 1/20 0.79

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
SCHEMBL6597494 0.91 ADAM17 (0.84) ADAM17MMP13
SCHEMBL6595445 0.90 ADAM17 (0.87) ADAM17MMP13
SCHEMBL6597438 0.88 ADAM17 (1.00) ADAM17MMP13
SCHEMBL6597738 0.88 ADAM17 (1.00) ADAM17MMP13
SCHEMBL6595672 0.88 ADAM17 (1.00) ADAM17MMP13
SCHEMBL6593004 0.88 ADAM17 (0.90) ADAM17MMP13
SCHEMBL6595527 0.88 ADAM17 (0.87) ADAM17MMP13
SCHEMBL6598034 0.87 ADAM17 (0.90) ADAM17MMP13
SCHEMBL6595754 0.87 ADAM17 (1.00) ADAM17MMP13
SCHEMBL6596874 0.87 ADAM17 (1.00) ADAM17MMP13

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-1263756-B1 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-02-25 EP claimed