SCHEMBL8875387

SCHEMBL8875387

Cc1ccccc1NC(N)=Nc1ccccc1I

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 19/20 0.78
▸ GRIN2D O15399 13/20 0.78
▸ GRIN3B O60391 13/20 0.78
▸ GRIN1 Q05586 13/20 0.78
▸ GRIN2A Q12879 13/20 0.78
▸ GRIN2B Q13224 13/20 0.78
▸ GRIN2C Q14957 13/20 0.78
▸ GRIN3A Q8TCU5 13/20 0.78
▸ MEN1 O00255 1/20 0.77
▸ PABPC1 P11940 1/20 0.77
▸ ALOX15 P16050 1/20 0.77
▸ TSHR P16473 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ EBP Q15125 1/20 0.77
▸ TMEM97 Q5BJF2 1/20 0.77

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
SCHEMBL8873081 0.88 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL158674 0.87 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6154739 0.87 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL29364709 0.87 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL80339 0.87 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL3388414 0.87 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL8862769 0.85 SIGMAR1 (0.97) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6727935 0.81 SIGMAR1 (0.78) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6154967 0.79 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14861883 0.78 SIGMAR1 (0.78) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0532642-A4 — — 1994-04-27 — — EP claimed
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 claimed
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 claimed
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-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
Send feedback