SCHEMBL7111101

SCHEMBL7111101

CCOC(=O)Nc1ccnc(C2=Cc3ccccc3CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
GRIN3A Q8TCU5 1/20 0.57
KMT2A Q03164 5/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
TSHR P16473 2/20 0.45
NR1I3 Q14994 10/20 0.45
USP2 O75604 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL5865391 0.90 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27590114 0.81 GPR35 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27590116 0.80 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5865220 0.78 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Fumaric Acid SCHEMBL5865432 0.76 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Fumaric Acid SCHEMBL27590124 0.76 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7172490 0.72 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Ethyl Phenylcarbamate SCHEMBL10941429 0.71 RAB9A (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5865430 0.70 CYP11B2 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4948434 0.69 MAPK1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443926-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-11 EP disclosed
WO-2003037333-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 WO disclosed