SCHEMBL8996699

SCHEMBL8996699

CC12CC3CC(C)(C1)CC(NC(N)=Nc1ccc(C=Cc4ccccc4)cc1)(C3)C2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.52
EPHX2 P34913 8/20 0.48
GRIN2D O15399 5/20 0.47
GRIN3B O60391 5/20 0.47
GRIN1 Q05586 5/20 0.47
GRIN2A Q12879 5/20 0.47
GRIN2B Q13224 5/20 0.47
GRIN2C Q14957 5/20 0.47
GRIN3A Q8TCU5 5/20 0.47
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC2 Q92769 1/20 0.47
CNR2 P34972 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
SCHEMBL9440893 0.83 SIGMAR1 (0.50) SIGMAR1EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL8996691 0.82 EPHX2 (0.44) SIGMAR1EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL6720879 0.76 GRIN2D (0.51) SIGMAR1EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL6720591 0.75 SIGMAR1 (0.52) SIGMAR1EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL8996696 0.71 SIGMAR1 (0.60) SIGMAR1EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL9316492 0.71 GRIN2D (0.47) SIGMAR1EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL6724211 0.70 SIGMAR1 (0.58) SIGMAR1EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL28888905 0.65 EPHX2 (0.76) EPHX2HDAC3HDAC1HDAC6HDAC2
SCHEMBL7504154 0.65 EPHX2 (0.50) SIGMAR1EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL7504152 0.65 EPHX2 (0.50) SIGMAR1EPHX2GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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