SCHEMBL6945022

SCHEMBL6945022

c1cncc(CCC2CO2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.63
SLC6A4 P31645 1/20 0.63
CHRNA7 P36544 2/20 0.52
CYP2A6 P11509 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
HRH1 P35367 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
HRH3 Q9Y5N1 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
PTAFR P25105 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
SCHEMBL10034629 1.00 SLC6A2 (0.63) SLC6A2SLC6A4CHRNA7CYP2A6TDP1
SCHEMBL9844932 0.81 CHRNA7 (0.49) SLC6A2SLC6A4CHRNA7CYP2A6TDP1
SCHEMBL29872178 0.80 SLC6A2 (0.57) SLC6A2SLC6A4CHRNA7CYP2A6TDP1
SCHEMBL9432014 0.80 SLC6A2 (0.53) SLC6A2SLC6A4CHRNA7CYP2A6TDP1
SCHEMBL7834371 0.79 SLC6A2 (0.52) SLC6A2SLC6A4CHRNA7CYP2A6TDP1
SCHEMBL8479576 0.79 SLC6A2 (0.52) SLC6A2SLC6A4CHRNA7CYP2A6TDP1
SCHEMBL7834832 0.79 SLC6A2 (0.52) SLC6A2SLC6A4CHRNA7CYP2A6TDP1
SCHEMBL9432019 0.79 SLC6A2 (0.52) SLC6A2SLC6A4CHRNA7CYP2A6TDP1
SCHEMBL8200213 0.78 SLC6A2 (0.58) SLC6A2SLC6A4CHRNA7CYP2A6TDP1
SCHEMBL2697459 0.78 SLC6A2 (1.00) SLC6A2SLC6A4CHRNA7CYP2A6TDP1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115705-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-18 EP claimed
EP-0984961-B1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-06-20 EP claimed
US-6143751-A Pyridine derivatives and pharmaceutical compositions containing them ASTRAZENECA UK LIMITED (GB) 2000-11-07 US claimed
EP-1019375-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-07-19 EP claimed
WO-2000018736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-06 WO claimed
EP-0984961-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-03-15 EP claimed
US-5977105-A Compounds ASTRA PHARMAEUTICALS LTD. (GB) 1999-11-02 US claimed
WO-1998043971-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-08 WO claimed
WO-1998042669-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO claimed
EP-1074544-B1 Process for production of 3-(3-pyridyl)-1-propanol derivatives KANEKA CORP (JP) 2003-08-27 EP disclosed
US-6388086-B1 REACTING W 3-METHYLPYRIDINE WITH BASE; THEN EPOXY COMPOUND KANEKA CORPORATION (JP) 2002-05-14 US disclosed
US-6265409-B1 ANTIINFLAMMATORY AGENTS ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-1115705-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-18 EP disclosed
EP-1114029-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-11 EP disclosed
EP-0984961-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-03-15 EP disclosed
US-5977105-A Compounds ASTRA PHARMAEUTICALS LTD. (GB) 1999-11-02 US disclosed
WO-1998043971-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-08 WO disclosed
WO-1998042669-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed