SCHEMBL7831473

SCHEMBL7831473

OC[C@@H](O)CCc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.52
KDM4E B2RXH2 1/20 0.50
CYP2A6 P11509 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TBXAS1 P24557 7/20 0.46
HRH1 P35367 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
NAPRT Q6XQN6 1/20 0.44

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
SCHEMBL6950222 1.00 CHRNA7 (0.52) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL6950227 1.00 CHRNA7 (0.52) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL5016747 0.91 CHRNA7 (0.57) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL8477435 0.88 CHRNA7 (0.50) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL10034621 0.84 TDP1 (0.54) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL6950753 0.84 TDP1 (0.54) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL6946868 0.84 CHRNA7 (0.50) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL23655466 0.83 CHRNA7 (0.57) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL6014385 0.83 TDP1 (0.53) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL6014381 0.83 CHRNA7 (0.62) CHRNA7KDM4ECYP2A6TDP1L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265409-B1 ANTIINFLAMMATORY AGENTS ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-0984961-B1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
US-6143751-A Pyridine derivatives and pharmaceutical compositions containing them ASTRAZENECA UK LIMITED (GB) 2000-11-07 US disclosed
EP-1019375-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-07-19 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