SCHEMBL1401582

SCHEMBL1401582

CN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
CYP51A1 Q16850 3/20 0.46
PYGL P06737 2/20 0.44
PYGM P11217 1/20 0.44
TACR1 P25103 1/20 0.44
MC4R P32245 12/20 0.44
MC3R P41968 12/20 0.44
MC1R Q01726 12/20 0.44
OPRD1 P41143 1/20 0.43
MCHR1 Q99705 1/20 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
SCHEMBL1401593 0.94 F2 (0.50) F2CYP51A1PYGLTACR1OPRD1
SCHEMBL1401268 0.86 OPRD1 (0.48) F2CYP51A1TACR1OPRD1
SCHEMBL1401188 0.86 OPRD1 (0.44) F2TACR1MC4ROPRD1
SCHEMBL3361699 0.84 CYP51A1 (0.46) F2CYP51A1PYGLOPRD1
SCHEMBL1401284 0.83 HSD17B10 (0.47) F2
SCHEMBL6318813 0.81 MMP9 (0.47) F2TACR1MC4RMC3RMC1R
SCHEMBL14048408 0.80 OPRD1 (0.40) F2CYP51A1PYGLPYGMTACR1
SCHEMBL1401107 0.80 TACR1 (0.42) F2TACR1
SCHEMBL1401110 0.80 TACR1 (0.42) F2TACR1
SCHEMBL867815 0.80 GHSR (0.54) F2MC4RMC3RMC1ROPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100824-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2011-03-02 EP claimed
EP-1789067-B8 Use of growth hormone secretagogues for stimulating the motility of the gastrointestinal system HELSINN HEALTHCARE SA (CH) 2012-08-15 EP disclosed
EP-2134341-A2 METHOD OF TREATING CELL PROLIFERATIVE DISORDERS USING GROWTH HORMONE SECRETAGOGUES Helsinn Therapeutics (U.S.), Inc. (US) 2009-12-23 EP disclosed
WO-2008100448-A2 METHOD OF TREATING CELL PROLIFERATIVE DISORDERS USING GROWTH HORMONE SECRETAGOGUES HELSINN THERAPEUTICS (U.S.), INC. (US) 2008-08-21 WO disclosed
EP-1789067-A2 METHOD OF STIMULATING THE MOTILITY OF THE GASTROINTESTINAL SYSTEM USING GROWTH HORMONE SECRETAGOGUES Sapphire Therapeutics, Inc. (US) 2007-05-30 EP disclosed
WO-2006020930-A2 METHOD OF STIMULATING THE MOTILITY OF THE GASTROINTESTINAL SYSTEM USING GROWTH HORMONE SECRETAGOGUES SAPPHIRE THERAPEUTICS, INC. (US) 2006-02-23 WO disclosed