SCHEMBL9260738

SCHEMBL9260738

C[C@H](CNC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3C(=O)NCCCCC(=O)OCc3ccccc3)cc2)C1=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.47
XIAP P98170 8/20 0.44
ACE P12821 2/20 0.40
NPY1R P25929 4/20 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
SCHEMBL9261142 0.98 GHSR (0.48) GHSRAGTR1XIAPACENPY1R
SCHEMBL8804065 0.88 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9274648 0.88 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9177730 0.87 XIAP (0.41) GHSRAGTR1XIAPACE
SCHEMBL9180918 0.86 GHSR (0.52) GHSRAGTR1XIAPNPY1R
SCHEMBL9180913 0.86 GHSR (0.52) GHSRAGTR1XIAPNPY1R
SCHEMBL9179425 0.84 GHSR (0.51) GHSRAGTR1XIAPNPY1R
SCHEMBL9179437 0.84 GHSR (0.51) GHSRAGTR1XIAPNPY1R
SCHEMBL9088672 0.83 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9025316 0.82 GHSR (0.54) GHSRAGTR1XIAPACENPY1R

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
US-5438136-A Benzo-fused macrocycles promote release of growth hormone MERCK & CO., INC. (US) 1995-08-01 US disclosed
WO-1995012598-A1 BENZO-FUSED MACROCYCLES PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-05-11 WO disclosed