SCHEMBL6216038

SCHEMBL6216038

CCOC(=O)c1c(C)nc2c(NCc3c(C)cccc3CC)cc(C(N)=O)cn12

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.78
CYP2C9 P11712 16/20 0.78
CYP2D6 P10635 8/20 0.78
CYP2C19 P33261 6/20 0.78
CYP1A2 P05177 6/20 0.78
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 2/20 0.41
HCRTR1 O43613 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
CD38 P28907 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7494111 0.90 CYP3A4 (0.62) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1815861 0.88 CYP3A4 (1.00) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL29405170 0.88 CYP3A4 (1.00) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4161190 0.87 CYP3A4 (0.80) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL7550784 0.87 CYP3A4 (0.98) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1815514 0.86 CYP3A4 (0.82) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL7496113 0.85 CYP3A4 (0.55) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4158769 0.84 CYP3A4 (0.93) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6350950 0.84 SMN1; SMN2 (0.54) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1817264 0.83 CYP3A4 (0.90) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073657-B1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2005-12-07 EP disclosed
US-6313137-B1 FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2001-11-06 US disclosed
EP-1073657-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION AstraZeneca AB (SE) 2001-02-07 EP disclosed
WO-1999055706-A9 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRA AB (SE) 2000-03-16 WO disclosed
WO-1999055706-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 1999-11-04 WO disclosed