SCHEMBL6676767

SCHEMBL6676767

CCN=C(N)Nc1cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CHIT1 Q13231 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6675971 0.89 CACNA1C (0.43) CACNA1CSCN5AGRIN2DGRIN3BGRIN1
SCHEMBL6674712 0.84 ALDH1A1 (0.36) LMNAPOLBALDH1A1HTTMAPT
SCHEMBL6677282 0.80 POLB (0.34) CACNA1CSCN5ALMNAPOLBALDH1A1
SCHEMBL6675327 0.80 CACNA1C (0.45) CACNA1CSCN5AGRIN2DGRIN3BGRIN1
SCHEMBL6676761 0.79 POLB (0.35) CACNA1CSCN5ALMNAPOLBALDH1A1
Hydrochloric Acid SCHEMBL6679167 0.78 CACNA1C (0.44) CACNA1CSCN5AGRIN2DGRIN3BGRIN1
SCHEMBL6678030 0.78 SIGMAR1 (0.44) CACNA1CSCN5AGRIN2DGRIN3BGRIN1
SCHEMBL6677280 0.78 LMNA (0.34) LMNAPOLBALDH1A1HTTHSD17B10
SCHEMBL6676005 0.76 LMNA (0.33) LMNAPOLBALDH1A1HTTMAPT
SCHEMBL6676424 0.75 CACNA1C (0.48) CACNA1CSCN5AGRIN2DGRIN3BGRIN1

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
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed