SCHEMBL9107737

SCHEMBL9107737

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XIAP P98170 9/20 0.46
GHSR Q92847 4/20 0.45
AGTR1 P30556 1/20 0.45
NPY1R P25929 1/20 0.41
PTGER1 P34995 4/20 0.40
PTGER3 P43115 4/20 0.40
PTGER4 P35408 3/20 0.40
PTGER2 P43116 2/20 0.39
TBXA2R P21731 1/20 0.39
PTGFR P43088 1/20 0.39
PTGIR P43119 1/20 0.39
PTGDR Q13258 1/20 0.39

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
SCHEMBL9109511 0.94 GHSR (0.45) XIAPGHSRAGTR1NPY1RPTGER1
SCHEMBL9107008 0.93 XIAP (0.45) XIAPGHSRAGTR1NPY1RPTGER1
SCHEMBL9105600 0.92 GHSR (0.47) XIAPGHSRAGTR1NPY1R
SCHEMBL9104248 0.92 GHSR (0.46) XIAPGHSRAGTR1NPY1RPTGER1
SCHEMBL9108348 0.91 GHSR (0.53) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9104515 0.91 XIAP (0.45) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9105029 0.90 GHSR (0.45) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9106203 0.90 GHSR (0.45) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9102800 0.89 GHSR (0.57) XIAPGHSRAGTR1NPY1RPTGER1
SCHEMBL9103112 0.87 GHSR (0.44) XIAPGHSRAGTR1NPY1RPTGER1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434261-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1995-07-18 US disclosed