SCHEMBL4467696

SCHEMBL4467696

O=C([C@H]([AsH2])COCc1ccccc1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.62
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.52
MAPK1 P28482 2/20 0.51
ADAMTS5 Q9UNA0 1/20 0.47
ME2 P23368 2/20 0.47
ME1 P48163 2/20 0.47
ME3 Q16798 2/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GFER P55789 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL2032174 0.85 GRM5 (0.62) GRM5TSHRHTTMAPK1ADAMTS5
SCHEMBL826516 0.85 GRM5 (0.62) GRM5TSHRHTTMAPK1ADAMTS5
SCHEMBL15084146 0.81 GRM5 (0.58) GRM5TSHRHTTMAPK1ADAMTS5
SCHEMBL15081817 0.79 GRM5 (0.55) GRM5TSHRHTTMAPK1ADAMTS5
SCHEMBL4334098 0.78 GRM5 (0.54) GRM5TSHRHTTMAPK1ADAMTS5
SCHEMBL4334106 0.78 GRM5 (0.54) GRM5TSHRMAPK1ADAMTS5POLB
SCHEMBL4334109 0.77 GRM5 (0.53) GRM5TSHRHTTMAPK1ADAMTS5
SCHEMBL1902638 0.77 GRM5 (1.00) GRM5ME2ME1ME3LMNA
SCHEMBL27736436 0.76 TSHR (0.62) GRM5TSHRHTTMAPK1ME2
SCHEMBL2021273 0.76 GHSR (0.60) GRM5TSHRMAPK1POLBGFER

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 2 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 claimed
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 claimed