SCHEMBL7374489

SCHEMBL7374489

CCc1ccccc1NC(N)=Nc1cccc(C)c1.CCc1ccccc1NC(N)=Nc1ccccc1I

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.64
GRIN2D O15399 7/20 0.64
GRIN3B O60391 7/20 0.64
GRIN1 Q05586 7/20 0.64
GRIN2A Q12879 7/20 0.64
GRIN2B Q13224 7/20 0.64
GRIN2C Q14957 7/20 0.64
GRIN3A Q8TCU5 7/20 0.64
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
EBP Q15125 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL6720628 0.90 SIGMAR1 (0.66) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6727935 0.87 SIGMAR1 (0.78) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6724658 0.82 SIGMAR1 (0.62) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7374537 0.82 SIGMAR1 (0.67) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720669 0.80 SIGMAR1 (0.78) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6419811 0.79 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6719073 0.78 SIGMAR1 (0.67) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6728972 0.75 SIGMAR1 (0.64) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6727810 0.75 SIGMAR1 (0.62) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720909 0.74 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726706-A4 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS OREGON STATE (US) 1997-11-19 EP claimed
EP-0726706-A1 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON BY AND THROUGH OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OREGON HEALTH SC. UNIV. AND OREGON STATE UNIV. (US) 1996-08-21 EP claimed
WO-1993017555-A1 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1993-09-16 WO claimed
US-5190976-A Neuroprotective STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND UNIVERSITY OF OREGON (US) 1993-03-02 US claimed