SCHEMBL7824958

SCHEMBL7824958

NC(N)=NC(=O)c1ccc(C(=O)N=C(N)N)c(-n2cccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.53
SLC9A3 P48764 1/20 0.53
SLC9A2 Q9UBY0 1/20 0.53
HTR2B P41595 11/20 0.46
HTR7 P34969 9/20 0.46
DRD2 P14416 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL27401335 0.92 SLC9A1 (0.59) SLC9A1SLC9A3SLC9A2
SCHEMBL7822660 0.92 SLC9A1 (0.59) SLC9A1SLC9A3SLC9A2
SCHEMBL8699872 0.84 SLC9A1 (0.43) SLC9A1SLC9A3SLC9A2HTR2BHTR7
SCHEMBL7825554 0.84 SLC9A1 (0.55) SLC9A1SLC9A3SLC9A2HTR2BHTR7
Hydrochloric Acid SCHEMBL7825501 0.82 SLC9A1 (0.54) SLC9A1SLC9A3SLC9A2HTR2BHTR7
SCHEMBL1388036 0.81 HTR2B (0.46) SLC9A1SLC9A3SLC9A2HTR2BHTR7
SCHEMBL7825774 0.81 LMNA (0.57) SLC9A1SLC9A3SLC9A2HTR2BHTR7
SCHEMBL7824138 0.80 PDE4A (0.46) SLC9A1SLC9A3SLC9A2HTR2BHTR7
SCHEMBL8707718 0.80 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2HTR2BHTR7
SCHEMBL7823135 0.76 SLC9A1 (0.40) SLC9A1SLC9A3SLC9A2HTR2BHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1080257-C Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 CN disclosed
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