SCHEMBL8750752

SCHEMBL8750752

N#CN/C(=N\CCc1ccccc1Cl)c1cncc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
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
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NR4A2 P43354 2/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
GCK P35557 1/20 0.36
HIF1A Q16665 2/20 0.36
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 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
SCHEMBL8750758 1.00 FAAH (0.42) FAAHHTR3EHTR3BHTR3AHTR3D
SCHEMBL8750818 0.87 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750821 0.87 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750856 0.86 MAPT (0.44) SCN2ASCN10ANPC1RAB9AALDH1A1
SCHEMBL8750849 0.86 MAPT (0.44) SCN2ASCN10ANPC1RAB9AALDH1A1
SCHEMBL8521392 0.86 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750836 0.86 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5044063 0.86 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750833 0.86 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750771 0.85 HTR3E (0.40) 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