SCHEMBL9108293

SCHEMBL9108293

CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3NC(=O)NCCO)cc2)C1=O)NCc1cc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.56
AGTR1 P30556 1/20 0.47
XIAP P98170 7/20 0.43
NPY1R P25929 4/20 0.40
CCKBR P32239 1/20 0.40

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
SCHEMBL9119848 0.93 GHSR (0.54) GHSRAGTR1XIAPNPY1RCCKBR
SCHEMBL9105520 0.89 GHSR (0.57) GHSRAGTR1XIAPNPY1RCCKBR
SCHEMBL9103074 0.89 GHSR (0.44) GHSRAGTR1XIAP
SCHEMBL9102884 0.87 GHSR (0.55) GHSRAGTR1XIAPNPY1R
SCHEMBL9103708 0.87 GHSR (0.67) GHSRAGTR1XIAPNPY1R
SCHEMBL9104316 0.86 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9104324 0.86 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL7791736 0.85 GHSR (0.59) GHSRAGTR1XIAPNPY1R
SCHEMBL7791949 0.85 GHSR (0.59) GHSRAGTR1XIAPNPY1R
SCHEMBL7791800 0.85 GHSR (0.58) 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
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