SCHEMBL7401131

SCHEMBL7401131

CN(C#N)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.53
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
CYP2A6 P11509 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MCL1 Q07820 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL11508215 0.80 ALDH1A1 (0.36) SIGMAR1CYP2D6ALDH1A1KDM4EGAA
SCHEMBL1486294 0.80 SIGMAR1 (0.53) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL10465512 0.80 SIGMAR1 (0.53) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL7411647 0.77 SIGMAR1 (0.49) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
Nitrogen SCHEMBL27346241 0.77 SIGMAR1 (0.59) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL1683320 0.76 SIGMAR1 (0.63) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL29364795 0.76 SIGMAR1 (0.63) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL27737084 0.76 SIGMAR1 (0.63) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL29555314 0.76 SIGMAR1 (0.63) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2349 0.76 SIGMAR1 (0.63) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6251948-B1 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 2001-06-26 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-5637622-A NERVOUS SYSTEM 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) 1997-06-10 US disclosed
US-5559154-A Tri- and tetra-substituted guanidines and their use as excitatory amino acid antagonists OREGON STATE BOARD OF HIGHER EDUCATION 1996-09-24 US disclosed
US-5489709-A REACTING MONO-SUBSTITUTEED CYANAMIDE WITH A SECONDARY AMINE CAMBRIDGE NEUROSCIENCE, INC. 1996-02-06 US disclosed
EP-0634997-A4 PREPARATION OF SUBSTITUTED GUANIDINES. CAMBRIDGE NEUROSCIENCE RES (US) 1995-04-26 EP disclosed
EP-0634997-A1 PREPARATION OF SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1995-01-25 EP disclosed
US-5336689-A Treating diseases of the nervous system; 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 THE UNIVERSITY OF OREGON (US) 1994-08-09 US disclosed
US-5298657-A From a cyanamide and an amine, Lewis acid catalyst CAMBRIDGE NEUROSCIENCE INC. (US) 1994-03-29 US disclosed
EP-0517852-A4 1994-03-02 EP disclosed
US-5262568-A Neuroprotective compounds, high binding affinity for phencyclidine, nervous system disorders STATE OF OREGON (US) 1993-11-16 US disclosed
WO-1993019042-A1 PREPARATION OF SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1993-09-30 WO disclosed
EP-0517852-A1 TRI- AND TETRA-SUBSTITUTED 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) 1992-12-16 EP disclosed
WO-1991012797-A1 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 HEALF SCIENCES UNIVERSITY (US) 1991-09-05 WO disclosed