SCHEMBL6028182

SCHEMBL6028182

Cc1nc2c3c(c(C(N)=O)cn2c1C)CC[C@@H](c1ccccc1)O3

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
CYP3A4 P08684 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC8A1 P32418 7/20 0.33
MCHR1 Q99705 1/20 0.32
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
RCE1 Q9Y256 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL5571082 1.00 ATP4A (0.45) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL5425463 1.00 ATP4A (0.45) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL5417817 0.92 ATP4A (0.46) ATP4AATP4BCYP3A4CYP2C9SLC8A1
SCHEMBL5989112 0.92 ATP4A (0.46) ATP4AATP4BCYP3A4CYP2C9SLC8A1
SCHEMBL5570682 0.89 ATP4A (0.44) ATP4AATP4BCYP3A4CYP2C9SLC8A1
SCHEMBL5566450 0.89 ATP4A (0.44) ATP4AATP4BCYP3A4CYP2C9SLC8A1
SCHEMBL5567363 0.89 ATP4A (0.44) ATP4AATP4BCYP3A4CYP2C9SLC8A1
SCHEMBL5566826 0.88 ATP4A (0.43) ATP4AATP4BCYP3A4CYP2C9SLC8A1
SCHEMBL4888725 0.88 ATP4A (0.43) ATP4AATP4BCYP3A4CYP2C9SLC8A1
SCHEMBL5559317 0.88 ATP4A (0.43) ATP4AATP4BCYP3A4CYP2C9SLC8A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696921-A1 TRICYCLIC IMIDAZOPYRIDINES FOR USE AS GASTRIC SECRETION INHIBITORS Altana Pharma AG (DE) 2006-09-06 EP disclosed
WO-2005058325-A1 TRICYCLIC IMIDAZOPYRIDINES FOR USE AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2005-06-30 WO disclosed