SCHEMBL9106599

SCHEMBL9106599

CC(C)(CC(=O)N[C@@H]1CCc2cc(F)ccc2N(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1=O)NC[C@H](O)CO

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.47
XIAP P98170 11/20 0.41
NPY1R P25929 3/20 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
SCHEMBL9105265 0.94 GHSR (0.48) GHSRAGTR1XIAPNPY1R
SCHEMBL9109380 0.92 GHSR (0.47) GHSRAGTR1XIAP
SCHEMBL9106377 0.92 GHSR (0.45) GHSRAGTR1XIAPNPY1R
SCHEMBL9106130 0.92 GHSR (0.56) GHSRAGTR1XIAP
SCHEMBL9107611 0.92 GHSR (0.45) GHSRAGTR1XIAPNPY1R
SCHEMBL9108088 0.92 GHSR (0.47) GHSRAGTR1XIAPNPY1R
SCHEMBL9103376 0.91 GHSR (0.47) GHSRAGTR1XIAPNPY1R
SCHEMBL9102870 0.90 AGTR1 (0.45) GHSRAGTR1
SCHEMBL9105224 0.88 GHSR (0.59) GHSRAGTR1XIAPNPY1R
SCHEMBL7796107 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