SCHEMBL9729315

SCHEMBL9729315

CCc1ccccc1N(C(N)=NI)c1ccccc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 6/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN1 P18031 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
MGLL Q99685 1/20 0.33
SLC9A1 P19634 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1955058 0.78 LMNA (0.44) LMNASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL10404786 0.77 LMNA (0.40) LMNASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL30172661 0.75 PTPN1 (0.43) LMNASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL4974968 0.75 PTPN1 (0.43) LMNASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL8401055 0.72 LMNA (0.36) LMNASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL12501297 0.72 LMNA (0.46) LMNANPSR1PTPN1GABRA1GABRB2
SCHEMBL2372910 0.72 LMNA (0.56) LMNANPSR1PTPN1GABRA1GABRB2
SCHEMBL8061230 0.71 LMNA (0.44) LMNANPSR1PTPN1GABRA1GABRB2
SCHEMBL22434077 0.70 MGLL (0.39) LMNASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL29285010 0.69 GABRA1 (0.39) LMNASIGMAR1GRIN2DGRIN3BGRIN1

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-0473671-A4 METHODS FOR TREATING ANXIETY WITH SIGMA RECEPTOR LIGANDS 1992-04-01 EP disclosed
EP-0473671-A1 USE OF SIGMA-RECEPTORS LIGANDS FOR THE MANUFACTURE OF AN ANXIOLYTIC AGENT. OREGON STATE (US) 1992-03-11 EP disclosed
WO-1990014067-A2 METHODS FOR TREATING ANXIETY WITH SIGMA RECEPTOR LIGANDS 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 AND THE UNIVERSITY OF OREGON (US) 1990-11-29 WO disclosed