SCHEMBL2571065

SCHEMBL2571065

CC(C)(C)OC(=O)ON1CCc2ccc(N)nc2CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
ESR2 Q92731 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAP4K4 O95819 1/20 0.31
MPO P05164 1/20 0.31
GRAMD1A Q96CP6 1/20 0.30

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
SCHEMBL2080340 0.82 NR1H2 (0.56) NR1H2ESR2MAPTRAB9AMAP4K4
SCHEMBL30207688 0.82 NR1H2 (0.56) NR1H2ESR2MAPTRAB9AMAP4K4
SCHEMBL29508891 0.76 NR1H2 (0.62) NR1H2ESR2MAPTKDM4EMAP4K4
SCHEMBL16691229 0.76 NR1H2 (0.62) NR1H2ESR2MAPTKDM4EMAP4K4
SCHEMBL10255757 0.76 NR1H2 (0.62) NR1H2ESR2MAPTKDM4EMAP4K4
SCHEMBL5544780 0.76 MAPT (0.44) MAPTMEN1KMT2A
SCHEMBL21553391 0.75 NR1H2 (0.48) NR1H2ESR2MAPTMEN1RAB9A
SCHEMBL8308725 0.73 NR1H2 (0.65) NR1H2ESR2RAB9ADRD2
SCHEMBL28935795 0.72 NR1H2 (0.56) NR1H2ESR2MAPTKDM4EMEN1
SCHEMBL31484210 0.72 NR1H2 (0.56) NR1H2ESR2MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed
EP-1899330-A1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT Boehringer Ingelheim International GmbH (DE) 2008-03-19 EP disclosed
WO-2007003536-A1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed