SCHEMBL4334109

SCHEMBL4334109

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.53
ADAMTS5 Q9UNA0 2/20 0.50
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.45
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
ADAM17 P78536 1/20 0.44
MAPK1 P28482 2/20 0.44
SLC1A1 P43005 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.42
GFER P55789 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 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 0.79 GRM5 (0.62) GRM5ADAMTS5TSHRHTTMAPK1
SCHEMBL2032174 0.79 GRM5 (0.62) GRM5ADAMTS5TSHRHTTMAPK1
SCHEMBL13673750 0.78 KMT2A (0.52) GRM5ADAMTS5MAPK1ALDH1A1MEN1
SCHEMBL4334098 0.77 GRM5 (0.54) GRM5ADAMTS5TSHRHTTMMP2
SCHEMBL4467696 0.77 GRM5 (0.62) GRM5ADAMTS5TSHRHTTMAPK1
SCHEMBL15084146 0.77 GRM5 (0.58) GRM5ADAMTS5TSHRHTTMAPK1
SCHEMBL4334106 0.75 GRM5 (0.54) GRM5ADAMTS5TSHRMAPK1POLB
SCHEMBL15081817 0.74 GRM5 (0.55) GRM5ADAMTS5TSHRHTTMAPK1
SCHEMBL17884480 0.74 ADAMTS5 (0.66) GRM5ADAMTS5TSHRHTTMMP2
SCHEMBL16472154 0.73 SLC1A1 (0.53) TSHRMAPK1SLC1A1ALDH1A1KMT2A

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