SCHEMBL7839635

SCHEMBL7839635

COCCOC(=O)Nc1cccc(C)c1COc1cccn2c(C=O)c(C)nc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GUCY1B2 O75343 15/20 0.43
GUCY1A2 P33402 15/20 0.43
GUCY1A1 Q02108 15/20 0.43
GUCY1B1 Q02153 15/20 0.43
BDKRB2 P30411 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
SCHEMBL8137658 0.92 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7499698 0.91 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1813533 0.89 CYP3A4 (0.64) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1818160 0.88 ATP4A (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7828059 0.86 CYP3A4 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7505990 0.86 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8805202 0.84 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1817623 0.80 CYP3A4 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9097105 0.80 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1814241 0.79 ATP4A (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 2 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