SCHEMBL7302058

SCHEMBL7302058

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N=C(N)N(CCC[C@H](N)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PREP P48147 2/20 0.40
CTSK P43235 1/20 0.40
GFER P55789 1/20 0.39
CTRB1 P17538 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FKBP1A P62942 1/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CMA1 P23946 1/20 0.38
PRCP P42785 1/20 0.38

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
SCHEMBL7302798 0.88 SPHK2 (0.44) KLK7KMT2APREPCTSKGFER
SCHEMBL7296963 0.88 ACE (0.40) KLK7KMT2APREPCTSKGFER
SCHEMBL7297128 0.85 CPT2 (0.44) KLK7KMT2ACTRB1KDM4ELMNA
SCHEMBL7338057 0.81 ACE (0.38) KLK7KMT2APREPF2
SCHEMBL7296919 0.81 LTA4H (0.38) L3MBTL1
SCHEMBL9225084 0.80 F2 (0.43) KLK7F2PRSS1NPSR1FKBP1A
SCHEMBL7304579 0.79 SPHK2 (0.43) KLK7KMT2APREPCTSKGFER
SCHEMBL7297651 0.79 ITGB3 (0.47)
SCHEMBL7293906 0.78 FKBP4 (0.39) PREP
SCHEMBL7302647 0.78 FKBP4 (0.45)

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-0526877-A2 Peptide aldehydes as antithrombotic agents Bristol-Myers Squibb Company (US) 1993-02-10 EP disclosed