SCHEMBL7216941

SCHEMBL7216941

CCc1cccc(C)c1COc1cccn2c(C)c(C)nc12

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.81
CYP2C9 P11712 3/20 0.81
CYP1A2 P05177 2/20 0.81
CYP2D6 P10635 2/20 0.81
CYP2C19 P33261 2/20 0.81
PSEN1 P49768 5/20 0.51
PSEN2 P49810 5/20 0.51
APH1B Q8WW43 5/20 0.51
NCSTN Q92542 5/20 0.51
APH1A Q96BI3 5/20 0.51
PSENEN Q9NZ42 5/20 0.51
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46

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
SCHEMBL7499341 0.90 CYP3A4 (1.00) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL7496145 0.86 ATP4A (0.64) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL8803895 0.84 CYP3A4 (0.83) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL7495209 0.84 SMN1; SMN2 (0.65) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL7501458 0.82 CYP3A4 (0.74) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL1817623 0.81 CYP3A4 (0.73) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL18801023 0.80 CYP1A2 (0.76) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL7496960 0.79 CYP3A4 (0.79) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4981843 0.79 CYP3A4 (0.67) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4925068 0.78 CYP3A4 (0.87) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19

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
WO-2004000856-A1 COMBINATION OF A REFLUX INHIBITOR AND AN IMIDAZOPYRIDINE FOR THE TREATMENT OF GERD ASTRAZENECA AB (SE) 2003-12-31 WO disclosed
EP-1361868-A1 NOVEL MODIFIED RELEASE FORMULATION AstraZeneca AB (SE) 2003-11-19 EP disclosed
WO-2002064118-A1 NOVEL MODIFIED RELEASE FORMULATION ASTRAZENECA AB (SE) 2002-08-22 WO disclosed
EP-0971920-B1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
US-6265415-B1 ANTIULCER AGENT ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-0971920-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION Astra Aktiebolag (SE) 2000-01-19 EP disclosed
WO-1998037080-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRA AKTIEBOLAG (SE) 1998-08-27 WO disclosed