SCHEMBL6813780

SCHEMBL6813780

N=C(N)c1cccc(CC(N)c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
SCN4A P35499 3/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
BRD4 O60885 1/20 0.33
IKBKB O14920 1/20 0.33
F10 P00742 1/20 0.33

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
Hydrochloric Acid SCHEMBL6814365 0.98 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9371930 0.85 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL8862842 0.84 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13833223 0.78 CNR1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8307713 0.74 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15102639 0.73 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL2727851 0.73 BRD4 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL17984763 0.72 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16579386 0.72 HRH4 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29633134 0.70 KCNH2 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073431-B1 USE OF NMDA ANTAGONISTS FOR TREATMENT OF IRRITABLE BOWEL SYNDROME ASTRAZENECA AB (SE) 2004-07-07 EP claimed
EP-1073431-A1 USE OF NMDA ANTAGONISTS FOR TREATMENT OF IRRITABLE BOWEL SYNDROME AstraZeneca AB (SE) 2001-02-07 EP claimed
WO-1999055323-A1 USE OF NMDA ANTAGONISTS FOR TREATMENT OF IRRITABLE BOWEL SYNDROME ASTRAZENECA AB (SE) 1999-11-04 WO claimed
EP-1073431-B1 USE OF NMDA ANTAGONISTS FOR TREATMENT OF IRRITABLE BOWEL SYNDROME ASTRAZENECA AB (SE) 2004-07-07 EP disclosed