SCHEMBL8750740

SCHEMBL8750740

N#CNC(=NCCc1ccccc1)c1ccc(N)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.39
HRH2 P25021 2/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
NAMPT P43490 1/20 0.38
HIF1A Q16665 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
ADRA1A P35348 2/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA2B P18089 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PDE3A Q14432 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8750814 0.77 HRH4 (0.41) HRH4HRH2GRIN1GRIN2BNAMPT
SCHEMBL9212702 0.74 SCN5A (0.42) HRH4HRH2GRIN1GRIN2BNAMPT
SCHEMBL9212698 0.74 SCN5A (0.42) HRH4HRH2GRIN1GRIN2BNAMPT
SCHEMBL9212779 0.73 HTR1A (0.46) LMNAADRA1ASMN1; SMN2HTR1A
SCHEMBL9212769 0.73 HTR1A (0.46) LMNAADRA1ASMN1; SMN2HTR1A
SCHEMBL9213906 0.73 HTR1A (0.48) NAMPTADRA1AHTR1A
SCHEMBL9213912 0.73 HTR1A (0.48) NAMPTADRA1AHTR1A
SCHEMBL9210605 0.73 MEN1 (0.43) HRH4HRH2GRIN1GRIN2BNAMPT
SCHEMBL9210611 0.73 MEN1 (0.43) HRH4HRH2GRIN1GRIN2BNAMPT
SCHEMBL6377119 0.72 EPHX2 (0.48) HRH4HRH2GRIN1GRIN2BNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP disclosed