SCHEMBL8874196

SCHEMBL8874196

Cc1ccccc1N=C(N)Nc1ccc(N)cc1C

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.81
GRIN2D O15399 11/20 0.79
GRIN3B O60391 11/20 0.79
GRIN1 Q05586 11/20 0.79
GRIN2A Q12879 11/20 0.79
GRIN2B Q13224 11/20 0.79
GRIN2C Q14957 11/20 0.79
GRIN3A Q8TCU5 11/20 0.79
MEN1 O00255 1/20 0.72
PABPC1 P11940 1/20 0.72
ALOX15 P16050 1/20 0.72
TSHR P16473 1/20 0.72
KMT2A Q03164 1/20 0.72
EBP Q15125 1/20 0.72
TMEM97 Q5BJF2 1/20 0.72
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
Hydrochloric Acid SCHEMBL8873727 0.99 SIGMAR1 (0.80) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873792 0.88 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL8874645 0.87 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL158674 0.84 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL29364709 0.84 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL80339 0.84 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL3388414 0.84 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL8862769 0.83 SIGMAR1 (0.97) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720615 0.79 SIGMAR1 (0.82) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9514936 0.79 SIGMAR1 (0.62) 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
US-5604228-A ADMINISTERING AS ANTIPSYCHOTIC OR ANTIHALLUCINOGENIC 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) 1997-02-18 US disclosed
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
US-5502255-A HYPOTENSIVE AGENTS, PSYCHOLOGICAL DISORDERS AND AS ANTIDEPRESSANTS 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) 1996-03-26 US disclosed
US-5478863-A Hypotensive agents, drugs for treating psychological disorders STATE OF OREGON, OREGON HEALTH SCIENCES UNIVERSITY OF OREGON (US) 1995-12-26 US disclosed
US-5385946-A Method for treating hypertension with disubstituted granidine compounds 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) 1995-01-31 US disclosed
US-5312840-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 (US) 1994-05-17 US disclosed
EP-0532642-A4 1994-04-27 EP disclosed
EP-0314690-B1 SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE OREGON STATE (US) 1993-12-29 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