SCHEMBL9024923

SCHEMBL9024923

CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2cccc(CC(N)=O)c2)C1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 10/20 0.60
SCN9A Q15858 3/20 0.49
XIAP P98170 3/20 0.48
AGTR1 P30556 1/20 0.47
GHSR Q92847 1/20 0.47
CCKBR P32239 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
SCHEMBL9024913 1.00 NPY1R (0.60) NPY1RSCN9AXIAPAGTR1GHSR
SCHEMBL9024788 0.87 AGTR1 (0.59) NPY1RXIAPAGTR1GHSR
SCHEMBL9024783 0.87 AGTR1 (0.59) NPY1RXIAPAGTR1GHSR
SCHEMBL9025936 0.85 XIAP (0.60) NPY1RSCN9AXIAPAGTR1GHSR
SCHEMBL9694667 0.83 NPY1R (0.54) NPY1RSCN9AXIAPAGTR1GHSR
SCHEMBL9025795 0.83 GHSR (0.57) NPY1RSCN9AXIAPAGTR1GHSR
SCHEMBL9025790 0.83 GHSR (0.57) NPY1RSCN9AXIAPAGTR1GHSR
SCHEMBL7791594 0.82 GHSR (0.58) NPY1RSCN9AXIAPAGTR1GHSR
SCHEMBL7791688 0.82 GHSR (0.56) NPY1RSCN9AXIAPAGTR1GHSR
SCHEMBL8329256 0.81 GHSR (0.57) NPY1RSCN9AXIAPAGTR1GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed