SCHEMBL7414939

SCHEMBL7414939

CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(CCOCc2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.48
NPY1R P25929 1/20 0.48
PYGL P06737 1/20 0.45
ACE P12821 3/20 0.43
XIAP P98170 3/20 0.42
MME P08473 1/20 0.42
PPARA Q07869 1/20 0.41

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
SCHEMBL5132571 0.86 NPY1R (0.59) SCN9ANPY1RPYGLXIAP
SCHEMBL7416762 0.86 NPY1R (0.59) SCN9ANPY1RPYGLXIAP
SCHEMBL7416731 0.85 PYGL (0.44) SCN9ANPY1RPYGLACEXIAP
SCHEMBL4997504 0.85 SCN9A (0.49) SCN9ANPY1RXIAPPPARA
SCHEMBL4997515 0.85 SCN9A (0.49) SCN9ANPY1RXIAPPPARA
SCHEMBL7418257 0.84 PYGL (0.52) SCN9ANPY1RPYGL
SCHEMBL7423984 0.84 SCN9A (0.50) SCN9ANPY1R
SCHEMBL7421160 0.83 SCN9A (0.48) SCN9ANPY1RACE
SCHEMBL4985454 0.83 SCN9A (0.56) SCN9A
SCHEMBL4257988 0.83 CYP3A4 (0.44) SCN9ANPY1RXIAPPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed