SCHEMBL4746908

SCHEMBL4746908

CN1CCCC(Oc2cccc3c2C[C@H](NC(=O)c2ccc(N4CCCCC4)cc2)CO3)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.49
SCN9A Q15858 6/20 0.49
SCN5A Q14524 5/20 0.49
DRD2 P14416 8/20 0.46
HTR2A P28223 8/20 0.46
DRD3 P35462 8/20 0.46
DGAT2 Q96PD7 3/20 0.42
SMYD3 Q9H7B4 2/20 0.41
PTK2 Q05397 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
SCHEMBL4747549 0.81 SCN9A (0.69) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL4838400 0.80 KCNH2 (0.70) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL4838380 0.80 KCNH2 (0.70) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL4750462 0.78 SCN9A (0.53) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL4747089 0.77 SCN9A (0.73) KCNH2SCN9ASCN5AHTR2ADRD3
SCHEMBL4749736 0.76 SCN9A (0.73) KCNH2SCN9ASCN5A
SCHEMBL4866628 0.75 DRD2 (0.50) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL4866636 0.75 DRD2 (0.50) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL4746896 0.73 PDGFRB (0.39) DRD2HTR2A
SCHEMBL4842018 0.73 KCNH2 (0.70) KCNH2SCN9ASCN5ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed