SCHEMBL7449577

SCHEMBL7449577

CCCc1cccc(/N=C(\C)Nc2cccc(CCC)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.72
GRIN2D O15399 2/20 0.72
GRIN3B O60391 2/20 0.72
GRIN1 Q05586 2/20 0.72
GRIN2A Q12879 2/20 0.72
GRIN2B Q13224 2/20 0.72
GRIN2C Q14957 2/20 0.72
GRIN3A Q8TCU5 2/20 0.72
AOC3 Q16853 1/20 0.49
NOS1 P29475 6/20 0.48
NOS2 P35228 2/20 0.43
NLRP3 Q96P20 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL7449583 1.00 SIGMAR1 (0.72) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7435027 0.88 SIGMAR1 (0.71) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7435022 0.88 SIGMAR1 (0.71) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720780 0.84 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Acetamidine SCHEMBL7442851 0.82 SIGMAR1 (0.71) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Acetamidine SCHEMBL7442858 0.82 SIGMAR1 (0.71) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1696515 0.76 AOC3 (0.62) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14367991 0.75 SIGMAR1 (0.55) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720775 0.74 SIGMAR1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27644958 0.73 GRIN2D (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552443-A TREATMENT OF PSYCHOSIS, ANXIETY AND AS HYPOTENSIVE AGENTS OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-09-03 US disclosed
EP-0551330-A4 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF OREGON STATE (US) 1994-07-06 EP disclosed
US-5308869-A TREATMENT OR PROPHYLAXIS OF ANXIETY IN AN ANIMAL STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION (US) 1994-05-03 US disclosed
EP-0551330-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF The STATE OF OREGON acting by and through the STATE BOARD OF HIGHER EDUCATION on behalf of the UNIV. OF OREGON (US) 1993-07-21 EP disclosed
WO-1992004054-A1 SUBSTITUTED AMIDINES 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, PORTLAND, OREGON, and THE UNIVERSITY OF OREGON, EUGENE, OREGON, Johnson Hall, University of Oregon (US) 1992-03-19 WO disclosed