SCHEMBL9107619

SCHEMBL9107619

CSc1ccc2c(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 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.47
XIAP P98170 10/20 0.42
PTGER1 P34995 3/20 0.36
PTGER3 P43115 3/20 0.36
PTGER2 P43116 1/20 0.36
PTGER4 P35408 2/20 0.36
TBXA2R P21731 1/20 0.36
PTGFR P43088 1/20 0.36
PTGIR P43119 1/20 0.36
PTGDR Q13258 1/20 0.36
NPY1R P25929 1/20 0.36

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
SCHEMBL9103376 0.94 GHSR (0.47) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9105029 0.92 GHSR (0.45) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9102820 0.92 GHSR (0.44) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9105265 0.91 GHSR (0.48) GHSRAGTR1XIAPNPY1R
SCHEMBL9106313 0.91 GHSR (0.56) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9105600 0.90 GHSR (0.47) GHSRAGTR1XIAPNPY1R
SCHEMBL9109495 0.90 AGTR1 (0.44) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9105885 0.90 GHSR (0.47) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9104971 0.89 GHSR (0.58) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL7795619 0.88 GHSR (0.53) 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 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