SCHEMBL9523708

SCHEMBL9523708

c1ccc(CCN2CCOC(c3ccccc3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.58
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
DRD3 P35462 2/20 0.51
DRD4 P21917 1/20 0.50
SLC6A3 Q01959 1/20 0.49
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL2290559 0.90 MEN1 (0.58) CNR2MEN1KMT2ADRD3DRD4
SCHEMBL2291058 0.90 DRD4 (0.55) CNR2DRD3DRD4
SCHEMBL2298962 0.90 MEN1 (0.58) CNR2MEN1KMT2ADRD3DRD4
SCHEMBL2294726 0.90 CNR2 (0.49) CNR2MEN1KMT2ADRD3DRD4
SCHEMBL497466 0.90 CNR2 (0.49) CNR2MEN1KMT2ADRD3DRD4
SCHEMBL4649659 0.90 CNR2 (0.55) CNR2MEN1KMT2ADRD3
SCHEMBL2294931 0.90 DRD4 (0.55) CNR2DRD3DRD4
SCHEMBL2291934 0.87 DRD3 (0.52) CNR2MEN1KMT2ADRD3DRD4
SCHEMBL2294553 0.87 DRD3 (0.52) CNR2MEN1KMT2ADRD3DRD4
SCHEMBL2295182 0.86 HRH3 (0.57) CNR2KMT2ADRD3

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-0507863-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF 1993-07-07 EP claimed
EP-0507863-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1992-10-14 EP claimed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO claimed