SCHEMBL7833355

SCHEMBL7833355

COc1ncccc1-c1ccc(O[C@@H](C)[C@H](O)CCc2cccnc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTAFR P25105 9/20 0.39
NAAA Q02083 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRM2 Q14416 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL7831505 0.86 HTT (0.38) HTTSMN1; SMN2PTAFRCYP11B1CYP11B2
SCHEMBL7831189 0.86 HTT (0.38) HTTSMN1; SMN2PTAFRCYP11B1CYP11B2
SCHEMBL7831777 0.85 MEN1 (0.43) PTAFRNAAACYP11B1CYP11B2PCSK9
SCHEMBL7834352 0.85 POLB (0.36) HTTSMN1; SMN2PTAFRCYP11B1CYP11B2
SCHEMBL7979919 0.83 CYP11B1 (0.44) HTTSMN1; SMN2PTAFRCYP11B1CYP11B2
SCHEMBL7979957 0.83 CYP11B1 (0.44) HTTSMN1; SMN2PTAFRCYP11B1CYP11B2
SCHEMBL7976881 0.82 PTAFR (0.42) HTTSMN1; SMN2PTAFRCYP11B1CYP11B2
SCHEMBL7976863 0.82 PTAFR (0.42) HTTSMN1; SMN2PTAFRCYP11B1CYP11B2
SCHEMBL7977066 0.82 PTAFR (0.42) HTTSMN1; SMN2PTAFRCYP11B1CYP11B2
SCHEMBL7980129 0.82 PTAFR (0.42) HTTSMN1; SMN2PTAFRCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984961-B1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-06-20 EP claimed
EP-0984961-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-03-15 EP claimed
WO-1998043971-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-08 WO claimed
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-0984961-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-03-15 EP disclosed
WO-1998043971-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-08 WO disclosed