SCHEMBL4709998

SCHEMBL4709998

O=C(O)OC1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.49
FABP7 O15540 2/20 0.49
KMT2A Q03164 2/20 0.44
EPHX2 P34913 1/20 0.41
F10 P00742 2/20 0.41
TSHR P16473 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 0.38
POLB P06746 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL6375144 0.85 FABP5 (0.53) FABP5FABP7KMT2AEPHX2F10
SCHEMBL119453 0.85 FABP5 (0.52) FABP5FABP7KMT2AEPHX2F10
SCHEMBL7920813 0.81 KMT2A (0.46) FABP5FABP7KMT2AEPHX2F10
SCHEMBL29341819 0.81 FABP5 (0.55) FABP5FABP7KMT2AEPHX2F10
SCHEMBL7920816 0.81 KMT2A (0.46) FABP5FABP7KMT2AEPHX2F10
SCHEMBL13327274 0.81 POLB (0.52) FABP5FABP7KMT2AEPHX2TSHR
SCHEMBL22397770 0.81 POLB (0.52) FABP5FABP7KMT2AEPHX2TSHR
SCHEMBL5485683 0.81 KMT2A (0.46) FABP5FABP7KMT2AEPHX2F10
SCHEMBL7926629 0.81 KMT2A (0.46) FABP5FABP7KMT2AEPHX2F10
SCHEMBL6855032 0.81 KMT2A (0.46) FABP5FABP7KMT2AEPHX2F10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597259-B1 NITROGEN-SUBSTITUTED HEXAHYDROPYRAZINO 1,2-A PYRIMIDINE-4,7-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-04-30 EP disclosed
EP-1597259-A1 NITROGEN-SUBSTITUTED HEXAHYDROPYRAZINO 1,2-A]PYRIMIDINE-4,7-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
WO-2004072077-A1 NITROGEN-SUBSTITUTED HEXAHYDROPYRAZINO[1,2-A]PYRIMIDINE-4,7-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSHLAND GMBH (DE) 2004-08-26 WO disclosed