SCHEMBL9106865

SCHEMBL9106865

COC(=O)Nc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NCc3ccco3)CSc3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.39
GHSR Q92847 4/20 0.39
AGTR1 P30556 1/20 0.39
F7 P08709 4/20 0.36
F3 P13726 4/20 0.36
TP53 P04637 1/20 0.36
F2 P00734 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 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
SCHEMBL9108493 0.92 XIAP (0.42) XIAPGHSRAGTR1F7F3
SCHEMBL9107930 0.90 GHSR (0.44) XIAPGHSRAGTR1F7F3
SCHEMBL9108628 0.89 GHSR (0.37) XIAPGHSRAGTR1F7F3
SCHEMBL9105231 0.88 GHSR (0.51) XIAPGHSRAGTR1
SCHEMBL9105226 0.87 GHSR (0.42) XIAPGHSRAGTR1F7F3
SCHEMBL9105221 0.87 GHSR (0.42) XIAPGHSRAGTR1F7F3
SCHEMBL7785912 0.87 GHSR (0.51) XIAPGHSRAGTR1F7F3
SCHEMBL9105107 0.85 GHSR (0.42) XIAPGHSRAGTR1F7F3
SCHEMBL9105116 0.85 GHSR (0.42) XIAPGHSRAGTR1F7F3
SCHEMBL9104983 0.85 GHSR (0.47) 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 3 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
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