SCHEMBL6157663

SCHEMBL6157663

CCN(CC)C(N)=Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.54
NOS3 P29474 4/20 0.54
NOS2 P35228 2/20 0.52
SIGMAR1 Q99720 4/20 0.50
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
SLC22A2 O15244 2/20 0.50
SLC22A1 O15245 1/20 0.50
SLC22A3 O75751 1/20 0.50
PLAU P00749 1/20 0.50
CXCR4 P61073 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 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
SCHEMBL3919033 0.79 MEN1 (0.54) NOS1NOS3NOS2SIGMAR1HTR3E
SCHEMBL21547549 0.78 NOS3 (0.50) NOS1NOS3NOS2HTR3EHTR3B
SCHEMBL27747191 0.77 NOS1 (0.60) NOS1NOS3NOS2SIGMAR1HTR3E
SCHEMBL28912579 0.76 NOS3 (0.43) NOS1NOS3NOS2SIGMAR1HTR3E
SCHEMBL14975958 0.74 KMT2A (0.49) NOS1NOS3NOS2HTR3EHTR3B
SCHEMBL14975956 0.74 KMT2A (0.49) NOS1NOS3NOS2HTR3EHTR3B
SCHEMBL12562475 0.73 NOS3 (0.41) NOS1NOS3NOS2HTR3EHTR3B
SCHEMBL3921499 0.73 SIGMAR1 (0.51) NOS1NOS3NOS2SIGMAR1HTR3E
SCHEMBL30529826 0.72 NOS1 (0.60) NOS1NOS3NOS2SIGMAR1HTR3E
SCHEMBL11343074 0.72 NOS2 (0.45) NOS3NOS2SIGMAR1LMNACYP2C19

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0940139-B1 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers SCION PHARMACEUTICALS INC (US) 2005-02-02 EP disclosed
EP-0517852-B1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS OREGON STATE (US) 2002-07-10 EP disclosed
US-6071969-A ADMINISTERING AMINOGUANIDINE DERIVATIVE TO MAMMAL FOR TREATING OR PREVENTING DISEASE OF NERVOUS SYSTEM IN WHICH PATHOPHYSIOLOGY OF DISORDER INVOLVES EXCESSIVE RELEASE OF OF NEUROTRANSMITTER FROM NEURONAL CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-06-06 US disclosed
EP-0584088-B1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RES (US) 1999-10-27 EP disclosed
EP-0940139-A2 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1999-09-08 EP disclosed
US-5837737-A MODULATOR OF NEUROTRANSMITTERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-11-17 US disclosed
US-5798390-A Tri- and tetra-substituted 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) 1998-08-25 US disclosed
US-5767162-A NERVOUS SYSTEM DISORDERS, BRAIN DISORDERS 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) 1998-06-16 US disclosed
US-5741661-A SCREENING ASSAY CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-04-21 US disclosed
EP-0726706-A4 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS OREGON STATE (US) 1997-11-19 EP disclosed
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 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
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 disclosed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO 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
US-5093525-A Neuroprotective agents 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) 1992-03-03 US 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
US-4906779-A 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 (US) 1990-03-06 US disclosed