SCHEMBL3671359

SCHEMBL3671359

COc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(C(=O)NCCC(F)(F)F)nc2)CO3)cn1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.77
SCN5A Q14524 18/20 0.77
KCNH2 Q12809 14/20 0.77
SLC6A3 Q01959 1/20 0.57
GHSR Q92847 1/20 0.57
CNR1 P21554 1/20 0.54

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
SCHEMBL3670706 0.89 SCN9A (0.66) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL841403 0.87 SCN9A (0.65) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL840692 0.87 SCN9A (1.00) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL839925 0.87 SCN9A (0.75) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL841295 0.87 SCN9A (0.73) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL841422 0.85 SCN9A (1.00) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL841598 0.85 SCN9A (0.67) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL841957 0.83 SCN9A (1.00) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL3327605 0.82 SCN9A (0.66) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL841479 0.82 SCN9A (0.87) SCN9ASCN5AKCNH2SLC6A3GHSR

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
EP-2158198-A2 NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2010-03-03 EP disclosed
WO-2008130320-A2 NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed