SCHEMBL5256753

SCHEMBL5256753

CCc1cccc(C)c1CNc1cc(C(=O)O)cn2c(CO)c(C)nc12

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.68
CYP2C9 P11712 19/20 0.68
CYP2D6 P10635 10/20 0.68
CYP2C19 P33261 8/20 0.68
CYP1A2 P05177 7/20 0.68
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL1815514 0.91 CYP3A4 (0.82) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4170085 0.90 CYP3A4 (0.83) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL7494547 0.88 CYP3A4 (0.62) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL5256756 0.86 CYP3A4 (0.58) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6214814 0.85 CYP3A4 (0.59) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL5258282 0.85 CYP3A4 (0.74) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6216927 0.83 CYP3A4 (0.61) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL5652825 0.83 CYP3A4 (0.61) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL7497823 0.82 CYP3A4 (0.54) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL3274522 0.82 CYP3A4 (0.74) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1491543-B1 Intermediate compounds for the preparation of imidazo-pyridine derivates ASTRAZENECA AB (SE) 2007-09-05 EP claimed
EP-1491543-B1 Intermediate compounds for the preparation of imidazo-pyridine derivates ASTRAZENECA AB (SE) 2007-09-05 EP disclosed
EP-1073656-B1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2005-10-19 EP disclosed
US-6313136-B1 FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2001-11-06 US disclosed
EP-1073656-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION AstraZeneca AB (SE) 2001-02-07 EP disclosed
WO-1999055705-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 1999-11-04 WO disclosed