SCHEMBL5226142

SCHEMBL5226142

CC(=O)ON1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](c2ccccc2)Oc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
SCN9A Q15858 2/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SIRT1 Q96EB6 1/20 0.35
BCL2 P10415 1/20 0.35
BECN1 Q14457 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 1/20 0.34
NAAA Q02083 1/20 0.34
KCNA3 P22001 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
RORC P51449 1/20 0.33
NPY1R P25929 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3344866 0.81 ACE (0.51) KDM1AMAOBKMT2AL3MBTL1
SCHEMBL4902997 0.81 ACE (0.51) KDM1AMAOBKMT2AL3MBTL1
SCHEMBL4905986 0.80 TSHR (0.44) KDM1AMAOBKMT2AL3MBTL1
SCHEMBL4905957 0.80 TSHR (0.44) KDM1AMAOBKMT2AL3MBTL1
SCHEMBL4906121 0.77 ABCB1 (0.40) KDM1AMAOBSCN9ANFKB1NFKB2
SCHEMBL4912762 0.74 IDO1 (0.43) KDM1AMAOBNFKB1NFKB2RELA
SCHEMBL4900102 0.74 IDO1 (0.43) KDM1AMAOBNFKB1NFKB2RELA
SCHEMBL1561640 0.72 MME (0.43) SCN9A
SCHEMBL5400731 0.71 MME (0.41) NFKB1NFKB2RELAKMT2ANAAA
SCHEMBL7349910 0.70 ACE (0.63) KMT2AL3MBTL1

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-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed