SCHEMBL7416762

SCHEMBL7416762

CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(Cc2ccccc2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.59
XIAP P98170 3/20 0.53
SCN9A Q15858 5/20 0.52
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CCKBR P32239 1/20 0.46
PYGL P06737 1/20 0.46

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 1.00 NPY1R (0.59) NPY1RXIAPSCN9AKMT2AL3MBTL1
SCHEMBL7417336 0.91 NPY1R (0.51) NPY1RXIAPSCN9AL3MBTL1CCKBR
SCHEMBL7418022 0.90 HDAC1 (0.50) NPY1RXIAPSCN9APYGL
SCHEMBL7421340 0.89 NPY1R (0.49) NPY1RXIAPSCN9ACCKBRPYGL
SCHEMBL7421160 0.89 SCN9A (0.48) NPY1RSCN9ACCKBR
SCHEMBL649566 0.88 NPY1R (0.52) NPY1RXIAPSCN9AKMT2AL3MBTL1
SCHEMBL5132457 0.88 NPY1R (0.52) NPY1RXIAPSCN9AKMT2AL3MBTL1
SCHEMBL649567 0.88 NPY1R (0.52) NPY1RXIAPSCN9AKMT2AL3MBTL1
SCHEMBL5651533 0.88 NPY1R (0.52) NPY1RXIAPSCN9AKMT2AL3MBTL1
SCHEMBL7421660 0.88 ACE (0.57) NPY1RSCN9ACCKBRPYGL

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