SCHEMBL7830841

SCHEMBL7830841

C[C@H](Oc1ccc(-c2cncnc2)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTAFR P25105 4/20 0.39
ADAMTS4 O75173 1/20 0.39
CYP2A6 P11509 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PSMB5 P28074 1/20 0.37
CHRNA7 P36544 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MMP12 P39900 1/20 0.36
NAMPT P43490 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
SCHEMBL7976881 0.91 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7980129 0.91 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7978664 0.91 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7977066 0.91 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7976863 0.91 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7966197 0.91 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7966401 0.88 POLB (0.41) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7976521 0.88 POLB (0.41) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7982762 0.88 CYP3A4 (0.45) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7976483 0.88 POLB (0.41) POLBHPGDHTTSMN1; SMN2PTAFR

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