SCHEMBL8909668

SCHEMBL8909668

CNC(=O)Nc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)N)CCc3cccnc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.56
AGTR1 P30556 1/20 0.56
XIAP P98170 8/20 0.42
NPY1R P25929 1/20 0.41
RIPK1 Q13546 5/20 0.39

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
SCHEMBL8909795 0.92 GHSR (0.61) GHSRAGTR1XIAPNPY1RRIPK1
SCHEMBL7786014 0.89 GHSR (0.68) GHSRAGTR1XIAPNPY1R
SCHEMBL8909302 0.89 GHSR (0.68) GHSRAGTR1XIAPNPY1RRIPK1
SCHEMBL8909811 0.88 GHSR (0.45) GHSRAGTR1XIAPNPY1R
SCHEMBL8908998 0.88 GHSR (0.44) GHSRAGTR1XIAPNPY1RRIPK1
Trifluoroacetic Acid SCHEMBL9107682 0.85 GHSR (0.63) GHSRAGTR1XIAPNPY1R
SCHEMBL8909721 0.84 GHSR (0.56) GHSRAGTR1XIAPRIPK1
SCHEMBL8909729 0.84 GHSR (0.56) GHSRAGTR1XIAPRIPK1
SCHEMBL7791779 0.83 GHSR (0.57) GHSRAGTR1XIAPNPY1R
SCHEMBL8909736 0.83 GHSR (0.56) 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 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