SCHEMBL3361699

SCHEMBL3361699

CN[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 4/20 0.46
PYGL P06737 1/20 0.42
POLB P06746 1/20 0.41
F2 P00734 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
REN P00797 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
GAA P10253 1/20 0.40
OPRD1 P41143 1/20 0.40
HPGD P15428 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MME P08473 1/20 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
SCHEMBL1401593 0.90 F2 (0.50) CYP51A1PYGLF2OPRD1
SCHEMBL3047893 0.87 OPRD1 (0.49) CYP51A1POLBALDH1A1MAPTHRH2
SCHEMBL27800005 0.87 OPRD1 (0.49) CYP51A1POLBALDH1A1MAPTHRH2
SCHEMBL24435894 0.85 FPR2 (0.47) ALDH1A1GAAHPGD
SCHEMBL1401582 0.84 F2 (0.48) CYP51A1PYGLF2OPRD1
SCHEMBL1401268 0.81 OPRD1 (0.48) CYP51A1F2OPRD1
SCHEMBL1401188 0.81 OPRD1 (0.44) F2OPRD1
SCHEMBL868529 0.81 CYP51A1 (0.38) CYP51A1PYGLPOLBF2REN
SCHEMBL2533450 0.81 OPRD1 (0.36) CYP51A1PYGLRENHRH2HRH1
SCHEMBL2533451 0.81 OPRD1 (0.36) CYP51A1PYGLRENHRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2146732-A1 METHODS OF TREATING OR PREVENTING EMESIS USING GROWTH HORMONE SECRETAGOGUES Helsinn Therapeutics (U.S.), Inc. (US) 2010-01-27 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-2008124183-A1 METHODS OF TREATING OR PREVENTING EMESIS USING GROWTH HORMONE SECRETAGOGUES HELSINN THERAPEUTICS (U.S.), INC. (US) 2008-10-16 WO 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