SCHEMBL7826720

SCHEMBL7826720

NC(N)=NC(=O)c1cncc(-n2cccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.39
SLC9A2 Q9UBY0 2/20 0.39
SLC9A3 P48764 1/20 0.39
AOC2 O75106 1/20 0.38
HTR5A P47898 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
HTR7 P34969 2/20 0.36
HTR2B P41595 2/20 0.36
CYP2C9 P11712 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
DRD2 P14416 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL1388080 0.82 SLC9A1 (0.43) SLC9A1SLC9A2SLC9A3AOC2HTR7
SCHEMBL25614166 0.82 CHRNB2 (0.49) AOC2SIRT2SIRT1SIRT3CHRNB2
Hydrochloric Acid SCHEMBL7822585 0.81 SLC9A1 (0.42) SLC9A1SLC9A2SLC9A3AOC2HTR7
Hydrochloric Acid SCHEMBL27401309 0.81 SLC9A1 (0.42) SLC9A1SLC9A2SLC9A3AOC2HTR7
SCHEMBL1388132 0.78 AOC2 (0.58) SLC9A1AOC2HTR7HTR2BDRD2
SCHEMBL1423044 0.77 HCAR2 (0.48) AOC2CYP2C9CHRNB2CHRNA4
SCHEMBL30835180 0.77 HCAR2 (0.48) AOC2CYP2C9CHRNB2CHRNA4
SCHEMBL8183732 0.77 SLC9A1 (0.44) SLC9A1SLC9A2SLC9A3AOC2HTR5A
SCHEMBL7826366 0.77 SLC9A1 (0.39) SLC9A1SLC9A2SLC9A3AOC2HTR7
Hydrochloric Acid SCHEMBL7830743 0.77 AOC2 (0.56) SLC9A1AOC2HTR7HTR2BDRD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed