SCHEMBL8750776

SCHEMBL8750776

CCc1cncc(/C(=N/CCc2ccccc2Cl)NC#N)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ALDH1A1 P00352 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
HRH2 P25021 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
P2RX7 Q99572 1/20 0.33
QPCT Q16769 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8750778 1.00 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750773 0.91 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750771 0.91 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750836 0.87 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750833 0.87 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750756 0.87 HTR3E (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750750 0.87 HTR3E (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750818 0.86 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750821 0.86 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750820 0.86 HTR3E (0.38) 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 5 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
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