SCHEMBL9105861

SCHEMBL9105861

CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O)NCc1ccco1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.58
AGTR1 P30556 1/20 0.58
XIAP P98170 11/20 0.43
NPY1R P25929 1/20 0.38

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
SCHEMBL9109512 0.93 GHSR (0.49) GHSRAGTR1XIAPNPY1R
SCHEMBL9108578 0.92 GHSR (0.48) GHSRAGTR1XIAPNPY1R
SCHEMBL9106202 0.92 GHSR (0.48) GHSRAGTR1XIAPNPY1R
SCHEMBL9104201 0.92 GHSR (0.48) GHSRAGTR1XIAPNPY1R
SCHEMBL9108338 0.91 GHSR (0.56) GHSRAGTR1XIAPNPY1R
SCHEMBL9025273 0.91 GHSR (0.62) GHSRAGTR1XIAPNPY1R
SCHEMBL9107731 0.91 GHSR (0.47) GHSRAGTR1XIAPNPY1R
SCHEMBL9107694 0.90 GHSR (0.57) GHSRAGTR1XIAPNPY1R
SCHEMBL9024603 0.90 GHSR (0.61) GHSRAGTR1XIAPNPY1R
SCHEMBL9102836 0.89 GHSR (0.55) 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