SCHEMBL7834352

SCHEMBL7834352

C[C@H](Oc1ccc(-c2cccnc2N(C)C)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PTAFR P25105 3/20 0.35
ALDH1A1 P00352 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL7833355 0.85 HTT (0.41) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7978664 0.82 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2CYP1A2
SCHEMBL7977066 0.82 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2CYP1A2
SCHEMBL7976881 0.82 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2CYP1A2
SCHEMBL7980129 0.82 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2CYP1A2
SCHEMBL7976863 0.82 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2CYP1A2
SCHEMBL7966197 0.82 PTAFR (0.42) POLBHPGDHTTSMN1; SMN2CYP1A2
SCHEMBL7822087 0.80 POLB (0.36) POLBHPGDCHRNA7MEN1KMT2A
SCHEMBL8145416 0.80 POLB (0.36) POLBHPGDCHRNA7MEN1KMT2A
SCHEMBL7966401 0.80 POLB (0.41) POLBHPGDHTTSMN1; SMN2CYP3A4

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 3 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-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