SCHEMBL6857069

SCHEMBL6857069

NC(=Nc1cccc2c1CCCC2)Nc1cccc2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 1.00
GRIN2D O15399 6/20 1.00
GRIN3B O60391 6/20 1.00
GRIN1 Q05586 6/20 1.00
GRIN2A Q12879 6/20 1.00
GRIN2B Q13224 6/20 1.00
GRIN2C Q14957 6/20 1.00
GRIN3A Q8TCU5 6/20 1.00
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 3/20 0.48
PABPC1 P11940 1/20 0.48
ALOX15 P16050 1/20 0.48
EBP Q15125 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL8996665 0.97 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6719092 0.85 SIGMAR1 (0.78) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6719066 0.84 SIGMAR1 (0.76) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720731 0.82 SIGMAR1 (0.73) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6716543 0.82 SIGMAR1 (0.73) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6717187 0.77 SIGMAR1 (0.66) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2357753 0.76 ALDH1A1 (0.63) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4512663 0.76 SIGMAR1 (0.61) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17894510 0.76 SIGMAR1 (0.61) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9293172 0.76 SIGMAR1 (0.65) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787569-B1 INHIBITORS OF NEUROTRANSMITTER (E.G., GLUTAMATE) RELEASE FROM ISCHEMIC NEURONAL CELLS; N,N-DISUBSTITUTED GUANIDINES; NEUROLOGICAL CONDITIONS SUCH AS EPILEPSY, NEURODEGENERATIVE CONDITIONS AND/OR NERVE CELL DEATH FROM STROKE OR HEART ATTACK CAMBRIDGE NEUROSCIENCE, INC. 2004-09-07 US disclosed