SCHEMBL8996675

SCHEMBL8996675

NC(=Nc1ccccc1I)Nc1ccccc1C=Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 1.00
GRIN2D O15399 12/20 0.65
GRIN3B O60391 12/20 0.65
GRIN1 Q05586 12/20 0.65
GRIN2A Q12879 12/20 0.65
GRIN2B Q13224 12/20 0.65
GRIN2C Q14957 12/20 0.65
GRIN3A Q8TCU5 12/20 0.65
MEN1 O00255 1/20 0.43
PABPC1 P11940 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
EBP Q15125 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SNCA P37840 1/20 0.43

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
SCHEMBL6154739 0.80 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8875387 0.75 SIGMAR1 (0.78) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8996669 0.73 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8996673 0.73 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6154967 0.72 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6727935 0.71 SIGMAR1 (0.78) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873081 0.69 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28327450 0.68 SNCA (0.81) SIGMAR1SNCA
SCHEMBL29537463 0.68 SNCA (0.81) SIGMAR1SNCA
SCHEMBL5574066 0.67 APP (0.63) SIGMAR1MEN1KMT2A

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