SCHEMBL8910399

SCHEMBL8910399

CNC(=O)Nc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3[nH]ccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.60
AGTR1 P30556 1/20 0.45
XIAP P98170 11/20 0.43
NPY1R P25929 2/20 0.42
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36

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
SCHEMBL8910141 0.92 GHSR (0.55) GHSRAGTR1XIAPNPY1R
SCHEMBL8910306 0.88 GHSR (0.78) GHSRAGTR1XIAPNPY1RPTGER1
SCHEMBL8909831 0.88 GHSR (0.61) GHSRAGTR1XIAPNPY1R
SCHEMBL7791592 0.87 GHSR (0.77) GHSRAGTR1XIAPNPY1R
SCHEMBL8908986 0.84 GHSR (0.44) GHSRAGTR1XIAPNPY1R
SCHEMBL8909790 0.84 GHSR (0.43) GHSRAGTR1XIAPNPY1R
SCHEMBL7791566 0.83 GHSR (0.65) GHSRAGTR1XIAPNPY1R
SCHEMBL8910872 0.83 GHSR (0.59) GHSRAGTR1XIAP
SCHEMBL8910868 0.83 GHSR (0.59) GHSRAGTR1XIAP
SCHEMBL8909665 0.82 GHSR (0.51) GHSRAGTR1XIAPNPY1RPTGER1

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
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