SCHEMBL8908989

SCHEMBL8908989

CC(C)(CC(=O)N[C@@H]1CCc2cccnc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O)NC[C@H](O)CO

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.49
AGTR1 P30556 1/20 0.49
XIAP P98170 8/20 0.36
RIPK1 Q13546 5/20 0.36
SCN9A Q15858 1/20 0.34

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
SCHEMBL8909466 0.94 GHSR (0.49) GHSRAGTR1XIAPRIPK1
SCHEMBL9024619 0.91 GHSR (0.60) GHSRAGTR1XIAP
SCHEMBL9024677 0.91 GHSR (0.60) GHSRAGTR1XIAP
SCHEMBL8908975 0.88 GHSR (0.62) GHSRAGTR1XIAPRIPK1
SCHEMBL8909323 0.85 GHSR (0.48) GHSRAGTR1XIAP
SCHEMBL8910356 0.85 GHSR (0.51) GHSRAGTR1XIAP
SCHEMBL9026161 0.85 GHSR (0.59) GHSRAGTR1XIAP
L-692585 SCHEMBL9025213 0.85 GHSR (0.60) GHSRAGTR1XIAP
L-692585 SCHEMBL9024978 0.85 GHSR (0.60) GHSRAGTR1XIAP
L-692585 SCHEMBL7474014 0.85 GHSR (0.60) GHSRAGTR1XIAP

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 4 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 claimed
WO-1995016692-A1 HETEROCYCLIC-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-06-22 WO claimed
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