SCHEMBL7828059

SCHEMBL7828059

COCCOC(=O)Nc1cccc(C)c1CNc1cccn2c(C=O)c(C)nc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.47
CYP2C9 P11712 17/20 0.47
CYP2D6 P10635 10/20 0.47
CYP2C19 P33261 8/20 0.47
CYP1A2 P05177 7/20 0.47
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL8136776 0.92 CYP3A4 (0.53) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL7505182 0.91 CYP3A4 (0.47) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1812877 0.89 CYP3A4 (0.60) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL8892144 0.87 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1816224 0.87 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL7839635 0.86 CYP1A2 (0.49) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4969583 0.86 CYP3A4 (0.57) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL7499692 0.85 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL8804870 0.82 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL8806511 0.80 CYP2C9 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723544-B1 ALKOXY ALKYL CARBAMATES OF IMIDAZO[1,2-a]PYRIDINES BYK GULDEN LOMBERG CHEM FAB (DE) 2001-04-18 EP disclosed
US-5719161-A REACTING AN IMIDAZO(1,2-A)PYRIDINE WITH A PHENYLCARBAMATE; USEFUL IN THE TREATMENT OF GASTROINTESTINAL DISEASES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-02-17 US disclosed
EP-0723544-A1 ALKOXY ALKYL CARBAMATES FROM IMIDAZO (1,2-a)PYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-07-31 EP disclosed
WO-1995010518-A1 ALKOXY ALKYL CARBAMATES FROM IMIDAZO (1,2-a)PYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-04-20 WO disclosed