Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4767628

N.c1ccc(CC2(Cc3ccccc3)CCCCO2)cc1

nearest known ligand 0.47

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
OPRL1 P41146 3/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRB2 P07550 1/20 0.33
HTT P42858 1/20 0.33
KDM1A O60341 2/20 0.33
DPP4 P27487 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRD1 P41143 1/20 0.32

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
Ammonia Solution, Strong SCHEMBL14691766 0.94 MAOA (0.44) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL8893055 0.92 MAOA (0.45) MAOAMAOBOPRL1OPRM1OPRK1
Ammonia Solution, Strong SCHEMBL14691839 0.84 MAOA (0.48) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL4616975 0.78 MAOB (0.37) MAOAMAOBOPRM1ALDH1A1HTT
SCHEMBL3906018 0.77 MAOA (0.39) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL60702 0.76 MAOA (0.41) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL14778815 0.76 MAOA (0.43) MAOAMAOBHTTKDM1AKMT2A
SCHEMBL27668036 0.75 MAOA (0.40) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL706405 0.74 MAOA (0.35) MAOAMAOBALDH1A1HTTKDM1A
SCHEMBL10440587 0.74 MAOA (0.39) MAOAMAOBOPRL1OPRM1OPRK1

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-1940835-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-09 EP disclosed
WO-2007036733-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed