SCHEMBL9105600

SCHEMBL9105600

COc1ccc2c(c1)CC[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C(=O)N2Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.47
XIAP P98170 10/20 0.47
SCN9A Q15858 1/20 0.42
NPY1R P25929 1/20 0.41
F10 P00742 1/20 0.38
PRSS1 P07477 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
SCHEMBL9108088 0.94 GHSR (0.47) GHSRAGTR1XIAPSCN9ANPY1R
SCHEMBL9107737 0.92 XIAP (0.46) GHSRAGTR1XIAPNPY1R
SCHEMBL9107008 0.92 XIAP (0.45) GHSRAGTR1XIAPNPY1R
SCHEMBL9105265 0.91 GHSR (0.48) GHSRAGTR1XIAPNPY1R
SCHEMBL9106313 0.91 GHSR (0.56) GHSRAGTR1XIAP
SCHEMBL9105885 0.90 GHSR (0.47) GHSRAGTR1XIAPSCN9A
SCHEMBL9107619 0.90 GHSR (0.47) GHSRAGTR1XIAPNPY1R
SCHEMBL9104515 0.90 XIAP (0.45) GHSRAGTR1XIAPF10
SCHEMBL9107058 0.89 GHSR (0.59) GHSRAGTR1XIAPSCN9ANPY1R
SCHEMBL7785867 0.89 GHSR (0.53) GHSRAGTR1XIAPNPY1RF10

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-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO claimed
US-5434261-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1995-07-18 US disclosed
WO-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed