SCHEMBL9317455

SCHEMBL9317455

NC(N)=Nc1ccccc1I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.58
GRIN2D O15399 2/20 0.58
GRIN3B O60391 2/20 0.58
GRIN1 Q05586 2/20 0.58
GRIN2A Q12879 2/20 0.58
GRIN2B Q13224 2/20 0.58
GRIN2C Q14957 2/20 0.58
GRIN3A Q8TCU5 2/20 0.58
HTR3E A5X5Y0 4/20 0.56
HTR3B O95264 4/20 0.56
HTR3A P46098 4/20 0.56
HTR3D Q70Z44 4/20 0.56
HTR3C Q8WXA8 4/20 0.56
PLAU P00749 3/20 0.47
SLC22A2 O15244 2/20 0.46
SLC22A1 O15245 2/20 0.46
SLC22A3 O75751 2/20 0.46
POLB P06746 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7431252 0.84 SIGMAR1 (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7431255 0.84 SIGMAR1 (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6154739 0.74 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15188908 0.73 GAA (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11876680 0.73 SLC22A2 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5241540 0.71 HTR3E (1.00) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11877278 0.71 NOS3 (0.56) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1931049 0.71 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11879318 0.71 HTR3E (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30084867 0.71 SIGMAR1 (0.58) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473671-A4 METHODS FOR TREATING ANXIETY WITH SIGMA RECEPTOR LIGANDS 1992-04-01 EP claimed
EP-0473671-A1 USE OF SIGMA-RECEPTORS LIGANDS FOR THE MANUFACTURE OF AN ANXIOLYTIC AGENT. OREGON STATE (US) 1992-03-11 EP claimed
WO-1990014067-A2 METHODS FOR TREATING ANXIETY WITH SIGMA RECEPTOR LIGANDS 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) 1990-11-29 WO claimed
EP-0473671-B1 USE OF SIGMA-RECEPTORS LIGANDS FOR THE MANUFACTURE OF AN ANXIOLYTIC AGENT OREGON STATE (US) 1994-08-24 EP 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
EP-0473671-A4 METHODS FOR TREATING ANXIETY WITH SIGMA RECEPTOR LIGANDS 1992-04-01 EP disclosed
EP-0473671-A1 USE OF SIGMA-RECEPTORS LIGANDS FOR THE MANUFACTURE OF AN ANXIOLYTIC AGENT. OREGON STATE (US) 1992-03-11 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
WO-1990014067-A2 METHODS FOR TREATING ANXIETY WITH SIGMA RECEPTOR LIGANDS 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) 1990-11-29 WO disclosed