SCHEMBL7444263

SCHEMBL7444263

C/C(=N\C(C)(C)C)Nc1ccccc1I

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.68
GRIN2D O15399 4/20 0.44
GRIN3B O60391 4/20 0.44
GRIN1 Q05586 4/20 0.44
GRIN2A Q12879 4/20 0.44
GRIN2B Q13224 4/20 0.44
GRIN2C Q14957 4/20 0.44
GRIN3A Q8TCU5 4/20 0.44
GRIK1 P39086 1/20 0.34

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
SCHEMBL7444267 1.00 SIGMAR1 (0.68) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6716833 0.81 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7439543 0.71 SIGMAR1 (0.76) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7439541 0.71 SIGMAR1 (0.76) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL74521 0.71 ALDH1A1 (0.61) SIGMAR1
SCHEMBL2606754 0.70 CETP (0.61) SIGMAR1
SCHEMBL29738227 0.70 CETP (0.61) SIGMAR1
SCHEMBL6716825 0.68 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL718382 0.67 SIGMAR1 (0.49) SIGMAR1
SCHEMBL6154735 0.66 SIGMAR1 (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552443-A TREATMENT OF PSYCHOSIS, ANXIETY AND AS HYPOTENSIVE AGENTS OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-09-03 US disclosed
EP-0551330-A4 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF OREGON STATE (US) 1994-07-06 EP disclosed
US-5308869-A TREATMENT OR PROPHYLAXIS OF ANXIETY IN AN ANIMAL STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION (US) 1994-05-03 US disclosed
EP-0551330-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF The STATE OF OREGON acting by and through the STATE BOARD OF HIGHER EDUCATION on behalf of the UNIV. OF OREGON (US) 1993-07-21 EP disclosed
WO-1992004054-A1 SUBSTITUTED AMIDINES 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, PORTLAND, OREGON, and THE UNIVERSITY OF OREGON, EUGENE, OREGON, Johnson Hall, University of Oregon (US) 1992-03-19 WO disclosed