SCHEMBL9030610

SCHEMBL9030610

CNC(=O)Nc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NCc3cc4ccccc4o3)CSc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 6/20 0.42
GHSR Q92847 4/20 0.42
AGTR1 P30556 1/20 0.37
F7 P08709 4/20 0.35
F3 P13726 4/20 0.35
F2 P00734 1/20 0.35
MME P08473 3/20 0.34
ACE P12821 3/20 0.34
RIPK1 Q13546 1/20 0.34
NPY1R P25929 1/20 0.33

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
SCHEMBL9103074 0.93 GHSR (0.44) XIAPGHSRAGTR1F7F3
SCHEMBL9107843 0.91 GHSR (0.52) XIAPGHSRAGTR1F7F3
SCHEMBL9108493 0.89 XIAP (0.42) XIAPGHSRAGTR1F7F3
SCHEMBL9119848 0.88 GHSR (0.54) XIAPGHSRAGTR1NPY1R
SCHEMBL9106413 0.87 GHSR (0.41) XIAPGHSRAGTR1F7F3
SCHEMBL9118938 0.86 GHSR (0.41) XIAPGHSRAGTR1F7F3
SCHEMBL9118934 0.86 GHSR (0.41) XIAPGHSRAGTR1F7F3
SCHEMBL9107936 0.85 GHSR (0.43) XIAPGHSRAGTR1F7F3
SCHEMBL7794433 0.84 XIAP (0.47) XIAPGHSRAGTR1F7F3
SCHEMBL7785847 0.84 GHSR (0.51) XIAPGHSRAGTR1F7F3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995003290-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO claimed
EP-0711287-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 1996-08-28 EP disclosed
EP-0711287-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1996-05-15 EP disclosed
US-5430144-A E.g, N-(1-((2'-((methoxycarbonyl)amino)(1,1'-biphenyl)-4-yl) methyl)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-3 ((fur-2-yl)methyl)amino-3-methylbutanamide MERCK & CO., INC. (US) 1995-07-04 US disclosed
WO-1995003290-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed