SCHEMBL9102836

SCHEMBL9102836

CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O)NCc1cc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.55
AGTR1 P30556 1/20 0.55
XIAP P98170 10/20 0.41
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
SCHEMBL9107694 0.90 GHSR (0.57) GHSRAGTR1XIAPNPY1R
SCHEMBL9105861 0.89 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9025273 0.89 GHSR (0.62) GHSRAGTR1XIAPNPY1R
SCHEMBL9107936 0.89 GHSR (0.43) GHSRAGTR1XIAP
SCHEMBL9024603 0.88 GHSR (0.61) GHSRAGTR1XIAPNPY1R
SCHEMBL9108338 0.88 GHSR (0.56) GHSRAGTR1XIAPNPY1R
SCHEMBL9025051 0.87 GHSR (0.62) GHSRAGTR1XIAPNPY1R
SCHEMBL9026044 0.86 GHSR (0.62) GHSRAGTR1XIAPNPY1R
SCHEMBL9024936 0.86 GHSR (0.62) GHSRAGTR1XIAPNPY1R
SCHEMBL9023882 0.86 GHSR (0.62) 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