SCHEMBL8910306

SCHEMBL8910306

CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3[nH]ccc32)cc1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.78
AGTR1 P30556 1/20 0.44
XIAP P98170 10/20 0.42
NPY1R P25929 2/20 0.38
PTGER1 P34995 1/20 0.35
PTGER3 P43115 1/20 0.35
MME P08473 1/20 0.34
ACE P12821 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
SCHEMBL8910620 0.92 GHSR (0.66) GHSRAGTR1XIAPNPY1R
SCHEMBL8910399 0.88 GHSR (0.60) GHSRAGTR1XIAPNPY1RPTGER1
SCHEMBL7438263 0.88 GHSR (1.00) GHSRAGTR1XIAPNPY1RMME
SCHEMBL8909451 0.86 GHSR (0.59) GHSRAGTR1XIAP
SCHEMBL8909786 0.86 GHSR (0.58) GHSRAGTR1XIAP
SCHEMBL9241039 0.84 GHSR (0.57) GHSRAGTR1XIAPNPY1R
SCHEMBL8331001 0.84 GHSR (0.81) GHSRAGTR1XIAPNPY1R
SCHEMBL7795550 0.84 GHSR (0.83) GHSRAGTR1XIAPNPY1R
SCHEMBL8910872 0.83 GHSR (0.59) GHSRAGTR1XIAPMMEACE
SCHEMBL8910868 0.83 GHSR (0.59) GHSRAGTR1XIAPMMEACE

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