SCHEMBL7433296

SCHEMBL7433296

CC(C)(C)OC(=O)CC(N)C(=O)C(C(=O)OCc1ccccc1)n1nnnc1C1=CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.32
GHSR Q92847 1/20 0.32
PTGER4 P35408 1/20 0.32
MAP3K5 Q99683 3/20 0.31
MAPT P10636 2/20 0.31
CTSL P07711 1/20 0.31
CCKAR P32238 1/20 0.31
CCKBR P32239 1/20 0.31
LTA4H P09960 1/20 0.31
PARP1 P09874 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL7435675 0.86 MAPT (0.37) GHSRMAPTCCKARCCKBRLTA4H
SCHEMBL7436456 0.85 LTA4H (0.34) CACNA1BPTGER4MAPTCTSLLTA4H
SCHEMBL7433678 0.84 GHSR (0.37) GHSRMAPTCCKARCCKBRLTA4H
SCHEMBL7441953 0.84 GHSR (0.35) CACNA1BGHSRMAP3K5MAPTCCKAR
SCHEMBL7442699 0.83 MAPT (0.35) GHSRMAP3K5MAPTCCKARCCKBR
SCHEMBL7441596 0.82 GHSR (0.34) GHSRMAPTCCKARCCKBRLTA4H
SCHEMBL7441643 0.81 CCKAR (0.34) GHSRMAP3K5MAPTCCKARCCKBR
SCHEMBL7431147 0.81 MAPT (0.40) GHSRMAPTPOLB
SCHEMBL7446446 0.80 CTSL (0.38) GHSRMAPTCTSLCCKARCCKBR
SCHEMBL7439595 0.80 GHSR (0.36) GHSRMAP3K5MAPTCCKARCCKBR

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
US-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed