SCHEMBL8874180

SCHEMBL8874180

N#CNC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48
EPHX2 P34913 4/20 0.42
EPHX1 P07099 1/20 0.42
DPP4 P27487 4/20 0.37
SIGMAR1 Q99720 4/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT6 P42226 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
GAA P10253 1/20 0.33

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
SCHEMBL631519 0.78 EPHX2 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL812582 0.76 EPHX2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3250912 0.76 EPHX2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13447484 0.71 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15502446 0.69 EPHX2 (0.45) EPHX2EPHX1SIGMAR1
SCHEMBL11148894 0.69 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1072721 0.69 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Water SCHEMBL28211286 0.69 EPHX2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Water SCHEMBL28240546 0.69 GRIN2D (0.94) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14313766 0.69 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8225512-A None JP disclosed
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
JP-H08225512-A NEW N,N-DI-SUBSTITUTED GUANIDINE OREGON STATE 1996-09-03 JP 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
EP-0314690-A4 SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE. OREGON STATE (US) 1989-11-07 EP disclosed
EP-0314690-A1 SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE. OREGON STATE (US) 1989-05-10 EP disclosed
WO-1988000583-A1 SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BO (US) 1988-01-28 WO disclosed