SCHEMBL7486139

SCHEMBL7486139

Cc1cc(COc2ccc(C(=O)NC3CNC(=O)CC3C(=O)NOC(=O)C(F)(F)F)cc2)c2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.63
MMP2 P08253 1/20 0.54

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
SCHEMBL5898031 1.00 ADAM17 (0.63) ADAM17MMP2
SCHEMBL5897887 0.93 ADAM17 (0.57) ADAM17MMP2
SCHEMBL5897955 0.93 ADAM17 (0.61) ADAM17MMP2
SCHEMBL5898335 0.90 ADAM17 (0.61) ADAM17MMP2
SCHEMBL5898245 0.90 ADAM17 (0.57) ADAM17MMP2
Trifluoroacetic Acid SCHEMBL7486132 0.90 ADAM17 (0.74) ADAM17MMP2
Trifluoroacetic Acid SCHEMBL5898025 0.90 ADAM17 (0.74) ADAM17MMP2
SCHEMBL5898033 0.88 ADAM17 (0.80) ADAM17MMP2
SCHEMBL7493170 0.88 ADAM17 (0.80) ADAM17MMP2
SCHEMBL5898039 0.86 ADAM17 (0.60) ADAM17

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-1263755-A2 CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
WO-2001070673-A2 CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed