Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL3667283

COc1ncc(-c2cccc3c2C[C@H](N)CO3)cc1F.N

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 7/20 0.53
SCN9A Q15858 7/20 0.53
KCNH2 Q12809 5/20 0.53
PIK3CA P42336 6/20 0.37
FPR2 P25090 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL840734 0.99 SCN5A (0.54) SCN5ASCN9AKCNH2PIK3CAFPR2
SCHEMBL841567 0.82 SCN9A (0.48) SCN5ASCN9AKCNH2PIK3CAPIK3CD
Ammonia Solution, Strong SCHEMBL3668899 0.82 SCN9A (0.49) SCN5ASCN9AKCNH2
SCHEMBL3667284 0.82 KCNH2 (0.46) SCN5ASCN9AKCNH2PIK3CAPTGES2
SCHEMBL841025 0.81 SCN9A (0.49) SCN5ASCN9AKCNH2
SCHEMBL841707 0.80 SCN9A (0.44) SCN5ASCN9AKCNH2PIK3CAPIK3CD
SCHEMBL839932 0.80 SCN9A (0.38) SCN5ASCN9AKCNH2PIK3CB
SCHEMBL841203 0.79 SCN9A (0.46) SCN5ASCN9AKCNH2
SCHEMBL840105 0.79 SCN5A (0.52) SCN5ASCN9AKCNH2
SCHEMBL27777594 0.79 SCN5A (0.52) SCN5ASCN9AKCNH2

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