SCHEMBL4747528

SCHEMBL4747528

Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H]1COc2cccc(OC(C)(C)CN(C)C)c2C1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.62
KCNH2 Q12809 8/20 0.62
SCN5A Q14524 7/20 0.62
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.37
HDAC1 Q13547 1/20 0.36

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
SCHEMBL4747620 0.90 SCN9A (0.64) SCN9AKCNH2SCN5APOLBMAPT
SCHEMBL840782 0.77 SCN9A (1.00) SCN9AKCNH2SCN5APOLBMAPT
SCHEMBL20288009 0.77 SCN9A (1.00) SCN9AKCNH2SCN5APOLBMAPT
SCHEMBL4787985 0.71 MTNR1A (0.48) SCN9AKCNH2SCN5AMAPT
SCHEMBL4788578 0.70 SCN9A (0.47) SCN9AKCNH2SCN5A
SCHEMBL4786772 0.67 MTNR1A (0.49) SCN9AKCNH2SCN5AMAPT
SCHEMBL4788464 0.66 SCN9A (0.71) SCN9AKCNH2SCN5A
SCHEMBL316094 0.66 KCNH2 (0.49) SCN9AKCNH2SCN5APOLBMAPT
SCHEMBL4788828 0.66 SCN9A (0.70) SCN9AKCNH2SCN5A
SCHEMBL4788313 0.66 KCNH2 (0.55) SCN9AKCNH2SCN5AMAPT

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