SCHEMBL8750735

SCHEMBL8750735

N#CNC(=NCCc1ccccc1Cl)c1cncc(NCc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.37
HRH2 P25021 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SCN2A Q99250 2/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
NAMPT P43490 2/20 0.35
FFAR1 O14842 1/20 0.34
KDR P35968 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAP3K8 P41279 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8750733 1.00 HRH4 (0.37) HRH4HRH2HTR3EHTR3BHTR3A
SCHEMBL8750820 0.88 HTR3E (0.38) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL8750815 0.88 HTR3E (0.38) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL8750760 0.85 HTR3E (0.36) HRH4HRH2HTR3EHTR3BHTR3A
SCHEMBL8750763 0.85 HTR3E (0.36) HRH4HRH2HTR3EHTR3BHTR3A
SCHEMBL8750856 0.84 MAPT (0.44) SCN2ASCN10ANAMPTKDRALDH1A1
SCHEMBL8750849 0.84 MAPT (0.44) SCN2ASCN10ANAMPTKDRALDH1A1
SCHEMBL8750772 0.83 HTR3E (0.38) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL8750767 0.83 HTR3E (0.38) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL8750758 0.83 FAAH (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C

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