SCHEMBL9107008

SCHEMBL9107008

CCNS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NC[C@@H](C)O)CCc3cc(OC)ccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XIAP P98170 7/20 0.45
GHSR Q92847 4/20 0.45
AGTR1 P30556 1/20 0.45
NPY1R P25929 1/20 0.40
PTGER1 P34995 5/20 0.39
PTGER3 P43115 5/20 0.39
PTGER2 P43116 2/20 0.39
PTGER4 P35408 3/20 0.38
TBXA2R P21731 1/20 0.38
PTGFR P43088 1/20 0.38
PTGIR P43119 1/20 0.38
PTGDR Q13258 1/20 0.38
MTNR1A P48039 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
SCHEMBL9103112 0.94 GHSR (0.44) XIAPGHSRAGTR1NPY1RPTGER1
SCHEMBL9107737 0.93 XIAP (0.46) XIAPGHSRAGTR1NPY1RPTGER1
SCHEMBL9109390 0.92 GHSR (0.45) XIAPGHSRAGTR1NPY1RPTGER1
SCHEMBL9105600 0.92 GHSR (0.47) XIAPGHSRAGTR1NPY1R
SCHEMBL9101307 0.92 GHSR (0.53) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9104515 0.91 XIAP (0.45) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9102820 0.91 GHSR (0.44) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9105761 0.91 GHSR (0.44) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9105003 0.89 GHSR (0.56) XIAPGHSRAGTR1NPY1RPTGER1
SCHEMBL9221294 0.89 XIAP (0.37) XIAPGHSRAGTR1PTGER1PTGER3

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-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