SCHEMBL9107936

SCHEMBL9107936

CC(C)(CC(=O)N[C@@H]1CSc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O)NCc1cc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.43
AGTR1 P30556 2/20 0.43
XIAP P98170 1/20 0.38
F7 P08709 5/20 0.34
F3 P13726 5/20 0.34
F2 P00734 1/20 0.34
RIPK1 Q13546 1/20 0.33
MME P08473 3/20 0.32
ACE P12821 3/20 0.32

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
SCHEMBL9107917 0.90 GHSR (0.45) GHSRAGTR1XIAPF7F3
SCHEMBL9102836 0.89 GHSR (0.55) GHSRAGTR1XIAP
SCHEMBL9105693 0.88 GHSR (0.44) GHSRAGTR1XIAPF7F3
SCHEMBL9025080 0.85 GHSR (0.46) GHSRAGTR1XIAPF7F3
SCHEMBL9024591 0.85 GHSR (0.46) GHSRAGTR1XIAPF7F3
SCHEMBL9107843 0.85 GHSR (0.52) GHSRAGTR1XIAPF7F3
SCHEMBL9118934 0.85 GHSR (0.41) GHSRAGTR1XIAPF7F3
SCHEMBL9030610 0.85 XIAP (0.42) GHSRAGTR1XIAPF7F3
SCHEMBL9118938 0.85 GHSR (0.41) GHSRAGTR1XIAPF7F3
SCHEMBL14288709 0.84 GHSR (0.58) GHSRAGTR1XIAPF7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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