Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL3727065

N.N[C@@H]1CCc2cccc(-c3ccnnc3)c2C1

nearest known ligand 0.52

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
PLAU P00749 1/20 0.41
ANPEP P15144 1/20 0.39
IL1RN P18510 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39

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
SCHEMBL841738 0.99 DRD2 (0.43) DRD2DRD3PLAUANPEPIL1RN
Ammonia Solution, Strong SCHEMBL3737200 0.85 ANPEP (0.45) DRD2DRD3PLAUANPEPIL1RN
SCHEMBL840448 0.83 PLAU (0.46) DRD2DRD3PLAUANPEPIL1RN
Ammonia Solution, Strong SCHEMBL3725605 0.79 DRD2 (0.41) DRD2DRD3PLAU
SCHEMBL841229 0.77 DRD2 (0.42) DRD2DRD3PLAU
SCHEMBL841194 0.77 DRD2 (0.43) DRD2DRD3PLAUANPEPIL1RN
Ammonia Solution, Strong SCHEMBL3732398 0.76 DRD2 (0.49) DRD2DRD3PLAU
Ammonia Solution, Strong SCHEMBL3732439 0.75 DRD2 (0.49) DRD2DRD3
Ammonia Solution, Strong SCHEMBL3729586 0.75 DRD2 (0.49) DRD2DRD3
SCHEMBL3727066 0.75 ANPEP (0.36) ANPEPIL1RNERAP2ERAP1

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