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Sugi Predict / Compounds / SCHEMBL9104316

SCHEMBL9104316

SCHEMBL9104316

CCNC(=O)c1ccccc1-c1ccc(CN2C(=O)C(NC(=O)CC(C)(C)NCc3cc4ccccc4o3)CCc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.54
▸ AGTR1 P30556 1/20 0.49
▸ XIAP P98170 9/20 0.42
▸ NPY1R P25929 1/20 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
SCHEMBL9104324 1.00 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9105901 0.88 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9105908 0.88 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9118938 0.88 GHSR (0.41) GHSRAGTR1XIAP
SCHEMBL9118934 0.88 GHSR (0.41) GHSRAGTR1XIAP
SCHEMBL9103708 0.87 GHSR (0.67) GHSRAGTR1XIAPNPY1R
SCHEMBL9105936 0.87 GHSR (0.53) GHSRAGTR1XIAPNPY1R
SCHEMBL9105938 0.87 GHSR (0.53) GHSRAGTR1XIAPNPY1R
SCHEMBL9119848 0.86 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9108293 0.86 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 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