SCHEMBL7436532

SCHEMBL7436532

CNC(=O)C(NC(=O)c1ccc(-c2nnn(C(C(=O)OCc3ccccc3)C(=O)C(N)CC(=O)OC(C)(C)C)n2)cc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 5/20 0.39
ERAP2 Q6P179 3/20 0.39
ERAP1 Q9NZ08 1/20 0.39
DGAT1 O75907 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LTA4H P09960 3/20 0.36
POLB P06746 3/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.34
SLC6A3 Q01959 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7434576 0.93 LNPEP (0.38) LNPEPERAP2ERAP1DGAT1CYP1A2
SCHEMBL7492072 0.92 LNPEP (0.39) LNPEPERAP2ERAP1CYP1A2CYP2C9
SCHEMBL7439108 0.90 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19LTA4HPOLB
SCHEMBL7431704 0.89 LNPEP (0.35) LNPEPERAP2ERAP1POLBMAPT
SCHEMBL7440427 0.86 SMN1; SMN2 (0.44) CYP1A2CYP2C9CYP2C19LTA4HMAPT
SCHEMBL7437714 0.85 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19LTA4HPOLB
SCHEMBL7431022 0.85 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19LTA4HPOLB
SCHEMBL7438701 0.85 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19LTA4HPOLB
SCHEMBL7429538 0.85 TDP1 (0.40) LNPEPERAP2ERAP1CYP1A2CYP2C9
SCHEMBL7442507 0.84 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19LTA4H

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