SCHEMBL7446446

SCHEMBL7446446

CC(C)(C)OC(=O)CC(N)C(=O)C(C(=O)OCc1ccccc1)n1nnnc1N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
GHSR Q92847 1/20 0.35
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP7 Q9UHL4 2/20 0.33
DPP4 P27487 1/20 0.33
KCNH2 Q12809 1/20 0.33
LTA4H P09960 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
CCKAR P32238 1/20 0.32
CCKBR P32239 1/20 0.32

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
SCHEMBL7436797 0.84 HTR2C (0.36) CTSLGHSRALDH1A1NPSR1HTR2C
SCHEMBL7435675 0.83 MAPT (0.37) GHSRMAPTXBP1NPSR1TDP1
SCHEMBL7433678 0.82 GHSR (0.37) GHSRMAPTXBP1NPSR1TDP1
SCHEMBL7433296 0.80 CACNA1B (0.32) CTSLGHSRMAPTXBP1NPSR1
SCHEMBL7442699 0.80 MAPT (0.35) GHSRMAPTXBP1NPSR1TDP1
SCHEMBL7441953 0.80 GHSR (0.35) GHSRMAPTLTA4HCCKARCCKBR
SCHEMBL7441596 0.80 GHSR (0.34) GHSRMAPTALDH1A1XBP1NPSR1
SCHEMBL7441643 0.78 CCKAR (0.34) GHSRMAPTALDH1A1XBP1NPSR1
SCHEMBL7431147 0.78 MAPT (0.40) GHSRMAPTMEN1KMT2AALDH1A1
SCHEMBL7439595 0.78 GHSR (0.36) GHSRMAPTXBP1NPSR1TDP1

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