SCHEMBL4566910

SCHEMBL4566910

CCOC(=O)C(C)(C(=O)O)c1ccc2c(c1)CN(c1ccccn1)CCO2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
PIK3CA P42336 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 5/20 0.37
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RIPK1 Q13546 1/20 0.36
GPR142 Q7Z601 1/20 0.35
CREBBP Q92793 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
SCHEMBL4566908 0.85 GPR142 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1990025 0.78 CHRM4 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1997496 0.77 MEN1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1990022 0.73 HSD17B10 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14488592 0.71 BCHE (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1997491 0.70 GPR142 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1989631 0.69 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6125959 0.69 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL802575 0.69 MAPT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Fumaric Acid SCHEMBL1988836 0.66 GSK3B (0.46) PIK3CAALDH1A1KDM4EHTT

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-2077846-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Life Sciences Limited (IN) 2009-07-15 EP disclosed
WO-2008053446-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-05-08 WO disclosed