SCHEMBL4334098

SCHEMBL4334098

CC(C)(C(N)=O)C(COCc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.54
TSHR P16473 1/20 0.49
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.46
ADAMTS5 Q9UNA0 2/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 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
SCHEMBL826516 0.80 GRM5 (0.62) GRM5TSHRMAPK1HTTADAMTS5
SCHEMBL2032174 0.80 GRM5 (0.62) GRM5TSHRMAPK1HTTADAMTS5
SCHEMBL15081817 0.79 GRM5 (0.55) GRM5TSHRMAPK1HTTADAMTS5
SCHEMBL2021273 0.78 GHSR (0.60) GRM5TSHRMAPK1POLBGFER
SCHEMBL2021271 0.78 GHSR (0.60) GRM5TSHRMAPK1POLBGFER
SCHEMBL4467696 0.78 GRM5 (0.62) GRM5TSHRMAPK1HTTADAMTS5
SCHEMBL4334109 0.77 GRM5 (0.53) GRM5TSHRMAPK1HTTADAMTS5
SCHEMBL15084146 0.77 GRM5 (0.58) GRM5TSHRMAPK1HTTADAMTS5
SCHEMBL15084148 0.75 GRM5 (0.50) GRM5TSHRMAPK1ADAMTS5POLB
SCHEMBL15081820 0.74 GRM5 (0.49) GRM5TSHRMAPK1ADAMTS5POLB

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-2021015-A2 GHRELIN/GROWTH HORMONE RELEASING PEPTIDE/GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF The Administrators Of The Tulane Educational Fund (US) 2009-02-11 EP disclosed
WO-2007127457-A9 GHRELIN/GROWTH HORMONE RELEASING PEPTIDE/GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF UNIV TULANE (US) 2008-04-03 WO disclosed
WO-2007127457-A2 GHRELIN/GROWTH HORMONE RELEASING PEPTIDE/GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2007-11-08 WO disclosed