SCHEMBL8469385

SCHEMBL8469385

CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)C1N(S(C)(=O)=O)c2ccccc2C12CCNCC2

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 15/20 0.56
TACR1 P25103 4/20 0.41

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
SCHEMBL7500323 0.99 GHSR (0.55) GHSRTACR1
SCHEMBL7406419 0.90 GHSR (0.45) GHSRTACR1
SCHEMBL8150673 0.82 GHSR (0.57) GHSRTACR1
Hydrochloric Acid SCHEMBL9391073 0.80 GHSR (0.48) GHSR
SCHEMBL7399209 0.80 GHSR (0.47) GHSR
SCHEMBL9391333 0.79 GHSR (0.46) GHSR
SCHEMBL5697839 0.77 GHSR (0.47) GHSR
SCHEMBL8816268 0.77 GHSR (0.47) GHSR
SCHEMBL14089961 0.77 GHSR (0.78) GHSRTACR1
SCHEMBL6273359 0.76 GHSR (0.47) GHSR

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
EP-0857020-A4 WET GRANULATION FORMULATION OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO INC (US) 1999-01-07 EP disclosed
EP-0857020-A1 WET GRANULATION FORMULATION OF A GROWTH HORMONE SECRETAGOGUE Merck & Co., Inc. (US) 1998-08-12 EP disclosed
WO-1997015191-A1 WET GRANULATION FORMULATION OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 1997-05-01 WO disclosed