SCHEMBL8909323

SCHEMBL8909323

CC(C)(CC(=O)N[C@@H]1CCc2[nH]ccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O)NC[C@H](O)CO

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.48
AGTR1 P30556 1/20 0.48
XIAP P98170 13/20 0.35
NPY1R P25929 1/20 0.30

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
SCHEMBL8909380 0.94 GHSR (0.48) GHSRAGTR1XIAP
SCHEMBL9024677 0.90 GHSR (0.60) GHSRAGTR1XIAPNPY1R
SCHEMBL9024619 0.90 GHSR (0.60) GHSRAGTR1XIAPNPY1R
SCHEMBL8910356 0.90 GHSR (0.51) GHSRAGTR1XIAPNPY1R
SCHEMBL8909573 0.88 GHSR (0.61) GHSRAGTR1XIAPNPY1R
SCHEMBL8908989 0.85 GHSR (0.49) GHSRAGTR1XIAP
SCHEMBL9116368 0.85 GHSR (0.44) GHSRAGTR1XIAP
SCHEMBL9026161 0.84 GHSR (0.59) GHSRAGTR1XIAPNPY1R
SCHEMBL8909790 0.84 GHSR (0.43) GHSRAGTR1XIAPNPY1R
SCHEMBL8909222 0.84 GHSR (0.43) GHSRAGTR1XIAPNPY1R

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
US-5606054-A Heterocyclic-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1997-02-25 US disclosed
WO-1995016692-A1 HETEROCYCLIC-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-06-22 WO disclosed