SCHEMBL9104558

SCHEMBL9104558

CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3NC(=O)N3CCOCC3)cc2)C1=O)NCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.48
AGTR1 P30556 1/20 0.48
XIAP P98170 9/20 0.42
NPY1R P25929 3/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9107838 0.92 GHSR (0.41) GHSRAGTR1XIAPTSHRMAPK1
SCHEMBL9105231 0.89 GHSR (0.51) GHSRAGTR1XIAPNPY1R
SCHEMBL9103783 0.89 GHSR (0.55) GHSRAGTR1XIAPNPY1R
SCHEMBL9108628 0.89 GHSR (0.37) GHSRAGTR1XIAPTSHRMAPK1
SCHEMBL7791538 0.88 GHSR (0.50) GHSRAGTR1XIAPNPY1R
SCHEMBL9105520 0.87 GHSR (0.57) GHSRAGTR1XIAPNPY1RTSHR
SCHEMBL7791792 0.87 GHSR (0.49) GHSRAGTR1XIAPNPY1R
SCHEMBL7794332 0.87 GHSR (0.63) GHSRAGTR1XIAPNPY1R
SCHEMBL9107044 0.85 GHSR (0.56) GHSRAGTR1XIAPNPY1R
SCHEMBL9106996 0.84 GHSR (0.54) 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 3 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
WO-1995003290-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed