Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL3668899

COc1ncc(-c2cccc3c2C[C@H](N)CO3)cn1.N

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.49
KCNH2 Q12809 7/20 0.49
SCN5A Q14524 7/20 0.49
EED O75530 1/20 0.39
SUZ12 Q15022 1/20 0.39
EZH2 Q15910 1/20 0.39
FYN P06241 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
SLC6A3 Q01959 1/20 0.33
GHSR Q92847 1/20 0.33

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
SCHEMBL841025 0.99 SCN9A (0.49) SCN9AKCNH2SCN5AEEDSUZ12
SCHEMBL839924 0.87 SCN9A (0.42) SCN9AKCNH2SCN5AEEDSUZ12
Ammonia Solution, Strong SCHEMBL3672811 0.86 SCN9A (0.46) SCN9AKCNH2SCN5AEEDSUZ12
SCHEMBL839850 0.85 SCN9A (0.46) SCN9AKCNH2SCN5AEEDSUZ12
SCHEMBL841203 0.84 SCN9A (0.46) SCN9AKCNH2SCN5AEEDSUZ12
Ammonia Solution, Strong SCHEMBL3673794 0.83 SCN9A (0.38) SCN9AKCNH2SCN5ASLC6A3GHSR
Ammonia Solution, Strong SCHEMBL3672937 0.82 SCN9A (0.35) SCN9AKCNH2SCN5ASLC6A3GHSR
Ammonia Solution, Strong SCHEMBL3667283 0.82 SCN5A (0.53) SCN9AKCNH2SCN5A
SCHEMBL840902 0.81 SCN9A (0.38) SCN9AKCNH2SCN5ASLC6A3GHSR
SCHEMBL840895 0.81 SCN9A (0.36) SCN9AKCNH2SCN5ASLC6A3GHSR

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