SCHEMBL4750462

SCHEMBL4750462

CCNCCOc1cccc2c1C[C@H](NC(=O)c1ccc(N3CCCCC3)cc1)CO2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.53
KCNH2 Q12809 12/20 0.53
SCN5A Q14524 11/20 0.46
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
DRD3 P35462 2/20 0.44
SMYD3 Q9H7B4 2/20 0.41

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
SCHEMBL4750932 0.80 SCN9A (0.50) SCN9AKCNH2SCN5A
SCHEMBL4746908 0.78 KCNH2 (0.49) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4866628 0.78 DRD2 (0.50) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4866636 0.78 DRD2 (0.50) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4838400 0.78 KCNH2 (0.70) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4838380 0.78 KCNH2 (0.70) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4788578 0.76 SCN9A (0.47) SCN9AKCNH2SCN5A
SCHEMBL4788771 0.73 SMN1; SMN2 (0.48) SCN9AKCNH2SCN5A
SCHEMBL4749736 0.71 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL4838340 0.70 KCNH2 (0.70) SCN9AKCNH2SCN5ADRD2HTR2A

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