SCHEMBL6214243

SCHEMBL6214243

CCc1cccc(C)c1CNc1cc(C(=O)NCCc2ccc(O)c(O)c2)cn2c(C)c(C)nc12

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.66
CYP2C9 P11712 19/20 0.66
CYP2D6 P10635 10/20 0.66
CYP2C19 P33261 8/20 0.66
CYP1A2 P05177 7/20 0.66
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL7853033 0.89 CYP3A4 (0.54) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4174598 0.87 CYP3A4 (0.76) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6220862 0.87 CYP3A4 (0.57) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1818433 0.87 CYP3A4 (0.88) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1812976 0.85 CYP3A4 (0.73) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4609507 0.85 CYP3A4 (0.78) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1812197 0.83 CYP3A4 (0.80) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6217390 0.83 CYP3A4 (0.80) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4880932 0.83 CYP3A4 (0.84) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL13652130 0.82 CYP3A4 (0.73) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073656-B1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2005-10-19 EP claimed
US-6313136-B1 FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2001-11-06 US claimed
EP-1073656-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION AstraZeneca AB (SE) 2001-02-07 EP claimed
WO-1999055705-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 1999-11-04 WO claimed
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