SCHEMBL3661398

SCHEMBL3661398

CC(C)(C)OC(=O)NN1CCNc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
EPHX2 P34913 1/20 0.44
AVPR1A P37288 2/20 0.43
DRD2 P14416 8/20 0.40
MAPK10 P53779 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SCN9A Q15858 1/20 0.38
AKT1 P31749 1/20 0.36
BCHE P06276 1/20 0.36
LIPE Q05469 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL1862935 0.79 AVPR1A (0.46) MAPK1AVPR1APIM1
SCHEMBL8764748 0.79 MAPK1 (0.42) MAPK1EPHX2AVPR1ADRD2MAPK10
SCHEMBL9672935 0.77 GAA (0.38) MAPK1EPHX2MEN1KMT2A
SCHEMBL975814 0.77 MAPK1 (0.60) MAPK1EPHX2AVPR1ABCHE
SCHEMBL29505992 0.77 MAPK1 (0.60) MAPK1EPHX2AVPR1ABCHE
SCHEMBL29986227 0.77 DRD2 (0.47) DRD2MEN1KMT2ASCN9ALIPE
SCHEMBL1862101 0.74 DRD2 (0.40) DRD2MEN1KMT2ALIPE
SCHEMBL10701077 0.73 GAA (0.35) MAPK1EPHX2MAPK10MEN1KMT2A
SCHEMBL1858653 0.73 DRD2 (0.39) DRD2MEN1KMT2ABCHELIPE
SCHEMBL26945313 0.72 MAPK1 (0.54) MAPK1EPHX2AVPR1ASCN9AAKT1

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-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 WO disclosed