SCHEMBL8996673

SCHEMBL8996673

N=C(Nc1ccccc1I)Nc1ccccc1C=Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.58
SNCA P37840 12/20 0.48
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
TRPA1 O75762 1/20 0.42
APP P05067 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL8996669 1.00 SIGMAR1 (0.58) SIGMAR1SNCAGRIN2DGRIN3BGRIN1
SCHEMBL6154735 0.80 SIGMAR1 (0.48) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8996675 0.73 SIGMAR1 (1.00) SIGMAR1SNCAGRIN2DGRIN3BGRIN1
SCHEMBL29537463 0.73 SNCA (0.81) SIGMAR1SNCA
SCHEMBL5574066 0.72 APP (0.63) SIGMAR1TRPA1APPNFE2L2
SCHEMBL30533683 0.72 APP (0.63) SIGMAR1TRPA1APPNFE2L2
SCHEMBL5574063 0.72 APP (0.63) SIGMAR1TRPA1APPNFE2L2
SCHEMBL9440881 0.72 SIGMAR1 (0.59) SIGMAR1SNCAGRIN2DGRIN3BGRIN1
SCHEMBL10006568 0.71 SNCA (0.56) SIGMAR1SNCA
SCHEMBL10006565 0.71 SNCA (0.56) SIGMAR1SNCA

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
US-5574070-A Substituted guanidines having high binding to the sigma receptor and the use thereof 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 (US) 1996-11-12 US disclosed
EP-0532642-A4 1994-04-27 EP disclosed
EP-0532642-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1993-03-24 EP disclosed
WO-1991018868-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting by and through the OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of the OREGON HEALTH SCIENCES UNIVERSITY (US) 1991-12-12 WO disclosed