SCHEMBL9107044

SCHEMBL9107044

CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CO)cc2)C1=O)NCc1ccco1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.56
AGTR1 P30556 1/20 0.54
XIAP P98170 12/20 0.48
NPY1R P25929 1/20 0.41

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
SCHEMBL9106309 0.93 GHSR (0.60) GHSRAGTR1XIAPNPY1R
SCHEMBL9109371 0.92 GHSR (0.69) GHSRAGTR1XIAPNPY1R
SCHEMBL9107593 0.91 GHSR (0.70) GHSRAGTR1XIAPNPY1R
SCHEMBL9108721 0.91 GHSR (0.70) GHSRAGTR1XIAPNPY1R
SCHEMBL9106996 0.90 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9106991 0.90 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9105901 0.88 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9105908 0.88 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9106066 0.88 GHSR (0.52) GHSRAGTR1XIAPNPY1R
SCHEMBL9105231 0.88 GHSR (0.51) 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