SCHEMBL7010445

SCHEMBL7010445

O=C1Cc2[nH]ccc2NC1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.32
CRBN Q96SW2 1/20 0.32
TLK2 Q86UE8 2/20 0.32
PARP1 P09874 1/20 0.32
MMP2 P08253 1/20 0.31

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
SCHEMBL31619130 0.77 AHR (0.42) CRBNMMP2
SCHEMBL6099018 0.68 NPC1 (0.45) CRBN
SCHEMBL12291860 0.67 IDO1 (0.37) MAP2K1CRBNTLK2PARP1MMP2
SCHEMBL2438190 0.67 PDE3B (0.39)
SCHEMBL17160841 0.64 MAOA (0.43)
SCHEMBL1816980 0.64 AHR (0.63)
SCHEMBL3276747 0.62 TDP2 (0.47) MAP2K1PARP1
SCHEMBL18013284 0.62
SCHEMBL8620213 0.61 ANPEP (0.32)
SCHEMBL10969256 0.60 LRRK2 (0.54) MAP2K1TLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192153-B1 METHOD FOR THE ENANTIOMER SEPARATION OF CIS-8-BENZYL-7,9-DIOXO-2,8-DIAZABICYCLO 4.3.0]NONANE BAYER AG (DE) 2003-09-03 EP disclosed
EP-1192153-B1 METHOD FOR THE ENANTIOMER SEPARATION OF CIS-8-BENZYL-7,9-DIOXO-2,8-DIAZABICYCLO 4.3.0]NONANE BAYER AG (DE) 2003-09-03 EP disclosed
US-6566523-B1 Reacting mixtures of enantiomers with (-)-2,3:4,6-di-O-isopropylidene-2-keto-L-gulonic acid (or its hydrates) to form salts BAYER AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
US-6566523-B1 Reacting mixtures of enantiomers with (-)-2,3:4,6-di-O-isopropylidene-2-keto-L-gulonic acid (or its hydrates) to form salts BAYER AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
EP-1192153-A2 METHOD FOR THE ENANTIOMER SEPARATION OF CIS-8-BENZYL-7,9-DIOXO-2,8-DIAZABICYCLO 4.3.0]NONANE Bayer Aktiengesellschaft (DE) 2002-04-03 EP disclosed
EP-1192153-A2 METHOD FOR THE ENANTIOMER SEPARATION OF CIS-8-BENZYL-7,9-DIOXO-2,8-DIAZABICYCLO 4.3.0]NONANE Bayer Aktiengesellschaft (DE) 2002-04-03 EP disclosed
WO-2000076996-A3 METHOD FOR THE ENANTIOMER SEPARATION OF CIS-8-BENZYL-7,9-DIOXO-2,8-DIAZABICYCLO[4.3.0]NONANE BAYER AG (DE) 2001-04-12 WO disclosed
WO-2000076996-A2 METHOD FOR THE ENANTIOMER SEPARATION OF CIS-8-BENZYL-7,9-DIOXO-2,8-DIAZABICYCLO[4.3.0]NONANE BAYER AKTIENGESELLSCHAFT (DE) 2000-12-21 WO disclosed
WO-2000076996-A2 METHOD FOR THE ENANTIOMER SEPARATION OF CIS-8-BENZYL-7,9-DIOXO-2,8-DIAZABICYCLO[4.3.0]NONANE BAYER AKTIENGESELLSCHAFT (DE) 2000-12-21 WO disclosed