SCHEMBL8529396

SCHEMBL8529396

CCCCCOc1c(OC)ccc2c(=O)n(CCc3ccc([N+](=O)[O-])cc3)c(C)nc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.47
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE5A O76074 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.39

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
SCHEMBL4407550 0.81 CNR2 (0.53) CNR2L3MBTL1
SCHEMBL4409636 0.78 CNR2 (0.76) CNR2ALDH1A1SMN1; SMN2PDE5A
SCHEMBL4405456 0.72 CNR2 (0.76) CNR2SMN1; SMN2
SCHEMBL8086146 0.72 CNR2 (0.47) CNR2SMN1; SMN2
SCHEMBL8085917 0.71 CNR2 (0.51) CNR2SMN1; SMN2
SCHEMBL8085930 0.69 CNR2 (0.74) CNR2ALDH1A1PDE5A
SCHEMBL4407753 0.68 CNR2 (0.65) CNR2
SCHEMBL4409113 0.68 CNR2 (0.55) CNR2
SCHEMBL4411502 0.68 CNR2 (0.63) CNR2
SCHEMBL4408455 0.68 CNR2 (0.63) CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP disclosed