SCHEMBL6461816

SCHEMBL6461816

CC(C)CCN(C(=O)O)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)co1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 5/20 0.42
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CES1 P23141 1/20 0.35
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
AGTR2 P50052 1/20 0.31

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
SCHEMBL7047182 0.91 DAGLA (0.39) DAGLAUSP2TP53ALOX15TSHR
SCHEMBL6461813 0.85 P2RX7 (0.40) DAGLAEPHX1EPHX2
SCHEMBL6062848 0.84 DAGLA (0.39) DAGLAUSP2TP53ALOX15TSHR
SCHEMBL7567535 0.81 DAGLA (0.43) DAGLACES1
SCHEMBL6467926 0.80 DAGLA (0.44) DAGLANPSR1CES1ALDH1A1MAPT
SCHEMBL6467199 0.78 DAGLA (0.41) DAGLAMAPK1CES1EPHX2NPC1
SCHEMBL7047180 0.77 P2RX7 (0.37) DAGLAEPHX1EPHX2
SCHEMBL7049295 0.72 DAGLA (0.41) DAGLACES1MAPT
SCHEMBL6475177 0.71 DAGLA (0.47) DAGLACES1
SCHEMBL6475520 0.71 DAGLA (0.50) DAGLACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed