SCHEMBL9103074

SCHEMBL9103074

CC(C)(CC(=O)N[C@@H]1CSc2ccccc2N(Cc2ccc(-c3ccccc3NC(=O)NCCO)cc2)C1=O)NCc1cc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.44
XIAP P98170 5/20 0.39
AGTR1 P30556 1/20 0.36
F7 P08709 5/20 0.35
F3 P13726 5/20 0.35
F2 P00734 1/20 0.35
MME P08473 3/20 0.33
ACE P12821 3/20 0.33
RIPK1 Q13546 1/20 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
SCHEMBL9030610 0.93 XIAP (0.42) GHSRXIAPAGTR1F7F3
SCHEMBL9107930 0.90 GHSR (0.44) GHSRXIAPAGTR1F7F3
SCHEMBL9108293 0.89 GHSR (0.56) GHSRXIAPAGTR1
SCHEMBL9104616 0.87 GHSR (0.43) GHSRXIAPAGTR1F7F3
SCHEMBL9107843 0.87 GHSR (0.52) GHSRXIAPAGTR1F7F3
SCHEMBL9118938 0.86 GHSR (0.41) GHSRXIAPAGTR1F7F3
SCHEMBL9118934 0.86 GHSR (0.41) GHSRXIAPAGTR1F7F3
SCHEMBL7785751 0.85 GHSR (0.45) GHSRXIAPAGTR1F7F3
SCHEMBL7791984 0.84 GHSR (0.50) GHSRXIAPAGTR1F7F3
SCHEMBL9107936 0.83 GHSR (0.43) GHSRXIAPAGTR1F7F3

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
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