SCHEMBL6946868

SCHEMBL6946868

OC(CCl)CCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TBXAS1 P24557 7/20 0.49
HRH1 P35367 2/20 0.49
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
NAPRT Q6XQN6 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
SCHEMBL5016747 0.89 CHRNA7 (0.57) CHRNA7TDP1L3MBTL1TBXAS1HRH1
SCHEMBL6950227 0.84 CHRNA7 (0.52) CHRNA7TDP1L3MBTL1TBXAS1HRH1
SCHEMBL6950222 0.84 CHRNA7 (0.52) CHRNA7TDP1L3MBTL1TBXAS1HRH1
SCHEMBL7831473 0.84 CHRNA7 (0.52) CHRNA7TDP1L3MBTL1TBXAS1HRH1
SCHEMBL10034621 0.83 TDP1 (0.54) CHRNA7TDP1L3MBTL1TBXAS1HRH1
SCHEMBL6950753 0.83 TDP1 (0.54) CHRNA7TDP1L3MBTL1TBXAS1HRH1
SCHEMBL8477435 0.83 CHRNA7 (0.50) CHRNA7TDP1L3MBTL1TBXAS1HRH1
SCHEMBL23655466 0.82 CHRNA7 (0.57) CHRNA7TDP1L3MBTL1TBXAS1HRH1
Ammonia Solution, Strong SCHEMBL6014385 0.81 TDP1 (0.53) CHRNA7TDP1L3MBTL1TBXAS1HRH1
SCHEMBL6014381 0.81 CHRNA7 (0.62) CHRNA7TDP1L3MBTL1TBXAS1HRH1

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 28 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-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP claimed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 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
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