SCHEMBL7443897

SCHEMBL7443897

C/C(=N\c1cccc2ccccc12)Nc1cccc2ccccc12.C/C(=N\c1ccccc1C)Nc1ccccc1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.73
GRIN2D O15399 4/20 0.56
GRIN3B O60391 4/20 0.56
GRIN1 Q05586 4/20 0.56
GRIN2A Q12879 4/20 0.56
GRIN2B Q13224 4/20 0.56
GRIN2C Q14957 4/20 0.56
GRIN3A Q8TCU5 4/20 0.56
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
PABPC1 P11940 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
EBP Q15125 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL7443901 1.00 SIGMAR1 (0.73) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3085282 0.90 SIGMAR1 (0.67) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3085284 0.90 SIGMAR1 (0.67) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL169626 0.85 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7438015 0.85 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9350401 0.78 SIGMAR1 (0.78) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3071354 0.77 SIGMAR1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7430682 0.77 SIGMAR1 (0.74) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7430692 0.77 SIGMAR1 (0.74) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18714068 0.75 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551330-A4 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF OREGON STATE (US) 1994-07-06 EP 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