SCHEMBL5700749

SCHEMBL5700749

CC(C)(CN)OC(=O)C(C)(C)C(=O)NC(COCc1ccccc1)C(=O)N1CCC2(CC1)CNc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.53
TACR1 P25103 16/20 0.44
CYP3A4 P08684 1/20 0.40
UGCG Q16739 1/20 0.40

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
SCHEMBL5700750 1.00 GHSR (0.53) GHSRTACR1CYP3A4UGCG
SCHEMBL12798415 0.84 GHSR (0.53) GHSRTACR1CYP3A4UGCG
SCHEMBL5700753 0.84 GHSR (0.55) GHSRTACR1CYP3A4UGCG
SCHEMBL7572185 0.83 GHSR (0.52) GHSRTACR1CYP3A4UGCG
SCHEMBL12798440 0.80 GHSR (0.49) GHSRTACR1CYP3A4UGCG
SCHEMBL7572189 0.79 GHSR (0.47) GHSRTACR1CYP3A4UGCG
SCHEMBL8843163 0.75 GHSR (0.47) GHSRTACR1CYP3A4UGCG
SCHEMBL5700751 0.74 GHSR (0.40) GHSRTACR1
SCHEMBL8311496 0.73 GHSR (0.69) GHSRTACR1CYP3A4UGCG
SCHEMBL8311499 0.73 GHSR (0.69) GHSRTACR1CYP3A4UGCG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870199-B1 ASSAYS FOR GROWTH HORMONE SECRETAGOGUE RECEPTORS MERCK & CO INC (US) 2006-07-26 EP disclosed
EP-0876402-B1 GROWTH HORMONE SECRETAGOGUE RECEPTOR FAMILY MERCK & CO INC (US) 2004-10-13 EP disclosed
US-20030166144-A1 Growth hormone secretagogue receptor family MERCK & CO., INC. (US) 2003-09-04 US disclosed
US-6531314-B1 Isolated from swine and of given amino acid sequence; can be used in drug screening for treating deficient children, patients with musculoskeletal impairment and recovering from hip fracture/osteoporosis. MERCK & CO., INC. 2003-03-11 US disclosed
US-6242199-B1 DETECTING LIGAND ASSOCIATED WITH HORMONE RELEASE; TRANSFORM CELLS WITH VECTOR, TRANSFORM CELLS WITH VECTOR CODING LIGHT PROTEIN, INCUBATE CELLS WITH BINDING PROTEIN, DETECT BINDING ACTIVITY MERCK & CO., INC. 2001-06-05 US disclosed