SCHEMBL7206541

SCHEMBL7206541

NC(N)=NCc1ccccc1.[Au]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.65
GRIN1 Q05586 8/20 0.65
GRIN2D O15399 4/20 0.65
GRIN3B O60391 4/20 0.65
GRIN2A Q12879 4/20 0.65
GRIN2C Q14957 4/20 0.65
GRIN3A Q8TCU5 4/20 0.65
NOS2 P35228 1/20 0.63
HTR3A P46098 2/20 0.59
HTR3E A5X5Y0 1/20 0.59
HTR3B O95264 1/20 0.59
HTR3D Q70Z44 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
SIGMAR1 Q99720 2/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
MAOA P21397 1/20 0.57
DRD1 P21728 1/20 0.57
SLC6A2 P23975 1/20 0.57
ADRA1A P35348 1/20 0.57

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
SCHEMBL45769 0.98 GRIN2B (0.68) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
Hydrochloric Acid SCHEMBL4629266 0.95 GRIN2B (0.72) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
Sulfuric Acid SCHEMBL4014387 0.87 LMNA (0.65) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL1737052 0.85 GRIN1 (0.62) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
Amphetamine SCHEMBL28092355 0.81 TAAR1 (0.66) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL10425011 0.80 GRIN2B (0.52) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL1736064 0.80 TAAR1 (0.67) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL1736065 0.80 TAAR1 (0.67) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL5670677 0.80 LTA4H (0.55) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL20675953 0.79 NOS2 (0.96) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A

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-1004321-B1 STABLE RADIOACTIVE MEDECINE DAIICHI RADIOISOTOPE LAB (JP) 2003-02-26 EP disclosed
EP-1004321-A1 STABLE RADIOACTIVE MEDECINE DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2000-05-31 EP disclosed