SCHEMBL8996691

SCHEMBL8996691

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.44
GRIN2D O15399 5/20 0.43
GRIN3B O60391 5/20 0.43
GRIN1 Q05586 5/20 0.43
GRIN2A Q12879 5/20 0.43
GRIN2B Q13224 5/20 0.43
GRIN2C Q14957 5/20 0.43
GRIN3A Q8TCU5 5/20 0.43
SIGMAR1 Q99720 4/20 0.43
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38

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
SCHEMBL8996699 0.82 SIGMAR1 (0.52) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8419041 0.81 EPHX2 (0.51) EPHX2SIGMAR1SLC22A2SLC22A1SLC22A3
SCHEMBL6720591 0.80 SIGMAR1 (0.52) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720879 0.76 GRIN2D (0.51) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9316492 0.76 GRIN2D (0.47) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7493156 0.68 EPHX2 (0.49) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7493162 0.68 EPHX2 (0.49) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30255695 0.68 EPHX2 (0.60) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29978570 0.68 EPHX2 (0.60) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6724211 0.66 SIGMAR1 (0.58) EPHX2GRIN2DGRIN3BGRIN1GRIN2A

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 1 patent. 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