SCHEMBL9107731

SCHEMBL9107731

CC(C)(CC(=O)N[C@@H]1CCc2c(F)cccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O)NCc1ccco1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.47
XIAP P98170 9/20 0.34
NPY1R P25929 3/20 0.32
CHRM1 P11229 1/20 0.30

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
SCHEMBL9105861 0.91 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9109512 0.89 GHSR (0.49) GHSRAGTR1XIAPNPY1R
SCHEMBL9024318 0.87 GHSR (0.62) GHSRAGTR1XIAPNPY1RCHRM1
SCHEMBL9025202 0.87 GHSR (0.62) GHSRAGTR1XIAPNPY1RCHRM1
SCHEMBL9106202 0.86 GHSR (0.48) GHSRAGTR1XIAPNPY1R
SCHEMBL9107917 0.86 GHSR (0.45) GHSRAGTR1XIAP
SCHEMBL9104201 0.85 GHSR (0.48) GHSRAGTR1XIAPNPY1R
SCHEMBL9108578 0.85 GHSR (0.48) GHSRAGTR1XIAPNPY1R
SCHEMBL9107656 0.84 GHSR (0.41) GHSRAGTR1XIAP
SCHEMBL9108338 0.82 GHSR (0.56) 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