SCHEMBL3126967

SCHEMBL3126967

CCn1c(=O)n(CC(=O)NCCC(C)(C)O)c2ncc(-c3cc(Cl)cc(Cl)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 18/20 0.43
GRIN1 Q05586 17/20 0.43
KDM4E B2RXH2 1/20 0.34
KDM4A O75164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13521580 0.91 GRIN1 (0.45) GRIN2BGRIN1HPGDHTTHSD17B10
SCHEMBL13521717 0.87 GRIN2B (0.49) GRIN2BGRIN1KDM4EALDH1A1HTT
SCHEMBL3264885 0.87 GRIN2B (0.49) GRIN2BGRIN1
SCHEMBL3118279 0.86 GRIN2B (0.42) GRIN2BGRIN1
SCHEMBL13521576 0.86 GRIN2B (0.42) GRIN2BGRIN1KDM4EALDH1A1HPGD
SCHEMBL13521586 0.83 GRIN2B (0.45) GRIN2BGRIN1
SCHEMBL3126458 0.81 GRIN2B (0.47) GRIN2BGRIN1ALDH1A1
SCHEMBL13521616 0.81 GRIN2B (0.43) GRIN2BGRIN1KDM4EALDH1A1
SCHEMBL3122850 0.81 GRIN1 (0.50) GRIN2BGRIN1L3MBTL1
SCHEMBL13521587 0.81 GRIN1 (0.43) GRIN2BGRIN1KDM4EKDM4AALDH1A1

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
WO-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO claimed
WO-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed