SCHEMBL5369839

SCHEMBL5369839

O=C(NCC1CN(C(=O)OCc2ccccc2)CCO1)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 13/20 0.71
KCNH2 Q12809 2/20 0.57
ATXN2 Q99700 7/20 0.54

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
SCHEMBL14425337 1.00 ENPP2 (0.71) ENPP2KCNH2ATXN2
SCHEMBL5359493 0.85 ENPP2 (0.58) ENPP2KCNH2ATXN2
SCHEMBL5368331 0.84 ENPP2 (0.64) ENPP2KCNH2ATXN2
SCHEMBL14425436 0.83 MEN1 (0.50) ENPP2
SCHEMBL5368740 0.83 MEN1 (0.50) ENPP2
SCHEMBL14425317 0.83 MEN1 (0.50) ENPP2
SCHEMBL14425328 0.82 KDM4E (0.53) ENPP2KCNH2
SCHEMBL14425340 0.82 ENPP2 (0.48) ENPP2ATXN2
SCHEMBL5374908 0.82 ENPP2 (0.48) ENPP2ATXN2
SCHEMBL14425339 0.81 ENPP2 (0.48) ENPP2ATXN2

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
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed