SCHEMBL7008301

SCHEMBL7008301

CCc1cccc(C)c1CNc1cccn2c(C)c(COC(=O)CCC(=O)O)nc12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.62
CYP2C9 P11712 15/20 0.62
CYP2D6 P10635 7/20 0.62
CYP1A2 P05177 6/20 0.62
CYP2C19 P33261 5/20 0.62
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSPO P30536 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7008559 0.94 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7011865 0.88 CYP3A4 (0.49) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7008170 0.84 CYP3A4 (0.55) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7013524 0.82 CYP3A4 (0.76) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7007982 0.81 CYP3A4 (0.56) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7006012 0.81 CYP3A4 (0.55) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7015035 0.81 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7009388 0.80 CYP3A4 (0.56) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7009452 0.78 CYP3A4 (0.70) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7014197 0.78 CYP3A4 (0.53) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19

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
US-6613775-B1 8-(2,6-dimethylbenzylamino)-2-hydroxymethyl-3-methylimidazo(1, 2-a)pyridine used as antisecretory agents for prophylaxis of gastrointestinal disorders such as ulcers ASTRAZENECA AB (SE) 2003-09-02 US claimed
EP-1105390-B1 Imidazo[1,2-a]pyridine derivatives for the treatment of gastrointestinal diseases ASTRAZENECA AB (SE) 2003-06-04 EP claimed
EP-1105390-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2001-06-13 EP claimed
WO-2000010999-A2 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-03-02 WO claimed
US-6613775-B1 8-(2,6-dimethylbenzylamino)-2-hydroxymethyl-3-methylimidazo(1, 2-a)pyridine used as antisecretory agents for prophylaxis of gastrointestinal disorders such as ulcers ASTRAZENECA AB (SE) 2003-09-02 US disclosed
EP-1105390-B1 Imidazo[1,2-a]pyridine derivatives for the treatment of gastrointestinal diseases ASTRAZENECA AB (SE) 2003-06-04 EP disclosed
EP-1105390-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2001-06-13 EP disclosed
WO-2000010999-A2 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-03-02 WO disclosed