SCHEMBL7399733

SCHEMBL7399733

Cc1cc(CCOc2ccc(C(=O)NC3(CC(=O)NO)CCN(CC(F)F)CC3)cc2)c2ccccc2n1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.71
MMP13 P45452 1/20 0.71

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
SCHEMBL7403989 0.93 ADAM17 (0.72) ADAM17MMP13
SCHEMBL6598612 0.93 ADAM17 (0.83) ADAM17MMP13
SCHEMBL7405011 0.90 ADAM17 (0.74) ADAM17MMP13
SCHEMBL7406766 0.90 ADAM17 (0.86) ADAM17MMP13
SCHEMBL7399497 0.89 ADAM17 (0.86) ADAM17MMP13
SCHEMBL7403312 0.88 ADAM17 (0.85) ADAM17MMP13
SCHEMBL7401788 0.87 ADAM17 (0.71) ADAM17MMP13
SCHEMBL7407465 0.86 ADAM17 (0.87) ADAM17MMP13
SCHEMBL6597140 0.86 ADAM17 (0.84) ADAM17MMP13
SCHEMBL7395825 0.85 ADAM17 (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed