SCHEMBL9694667

SCHEMBL9694667

CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3)c(C(N)=S)c2)C1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.54
GHSR Q92847 4/20 0.49
AGTR1 P30556 1/20 0.49
XIAP P98170 5/20 0.49
SCN9A Q15858 4/20 0.47

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
SCHEMBL9024097 0.92 GHSR (0.56) NPY1RGHSRAGTR1XIAPSCN9A
SCHEMBL9025795 0.87 GHSR (0.57) NPY1RGHSRAGTR1XIAPSCN9A
SCHEMBL9025790 0.87 GHSR (0.57) NPY1RGHSRAGTR1XIAPSCN9A
SCHEMBL9025936 0.87 XIAP (0.60) NPY1RGHSRAGTR1XIAPSCN9A
SCHEMBL9694693 0.85 GHSR (0.53) NPY1RGHSRAGTR1XIAPSCN9A
SCHEMBL7791594 0.84 GHSR (0.58) NPY1RGHSRAGTR1XIAPSCN9A
SCHEMBL7791688 0.84 GHSR (0.56) NPY1RGHSRAGTR1XIAPSCN9A
SCHEMBL9024923 0.83 NPY1R (0.60) NPY1RGHSRAGTR1XIAPSCN9A
SCHEMBL8329256 0.83 GHSR (0.57) NPY1RGHSRAGTR1XIAPSCN9A
SCHEMBL9024913 0.83 NPY1R (0.60) NPY1RGHSRAGTR1XIAPSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed