SCHEMBL9293172

SCHEMBL9293172

NC(N)=Nc1cccc2c1CCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.65
GRIN2D O15399 1/20 0.60
GRIN3B O60391 1/20 0.60
GRIN1 Q05586 1/20 0.60
GRIN2A Q12879 1/20 0.60
GRIN2B Q13224 1/20 0.60
GRIN2C Q14957 1/20 0.60
GRIN3A Q8TCU5 1/20 0.60
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 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
ADRA2A P08913 7/20 0.41
ADRA2B P18089 7/20 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
SCHEMBL8996665 0.79 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6857069 0.76 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4117512 0.75 SIGMAR1 (0.49) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22596508 0.74 SIGMAR1 (0.45) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29449648 0.74 SIGMAR1 (0.45) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6719092 0.74 SIGMAR1 (0.78) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL5186865 0.74 SIGMAR1 (0.40) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6719066 0.73 SIGMAR1 (0.76) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23369728 0.72 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6769257 0.72 SIGMAR1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516748-A4 OREGON STATE (US) 1994-04-13 EP disclosed
EP-0516748-A1 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1992-12-09 EP disclosed
WO-1991013056-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 PORTLAND, OREGON, and THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1991-09-05 WO disclosed