SCHEMBL7836196

SCHEMBL7836196

Cc1nc2c(OCc3ccccc3)cccn2c1C=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.67
ATP4B P51164 4/20 0.67
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
MAPK1 P28482 2/20 0.62
MEN1 O00255 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
KMT2A Q03164 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
PSEN1 P49768 6/20 0.51
PSEN2 P49810 6/20 0.51
APH1B Q8WW43 6/20 0.51
NCSTN Q92542 6/20 0.51
APH1A Q96BI3 6/20 0.51
PSENEN Q9NZ42 6/20 0.51
CYP2C19 P33261 1/20 0.49
HTR1A P08908 1/20 0.44

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
SCHEMBL2193469 0.83 ATP4A (0.76) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL8816284 0.82 ATP4A (0.74) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL5214579 0.81 ATP4A (0.47) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL2191144 0.81 ATP4A (1.00) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL6940664 0.81 ATP4A (0.72) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL17928989 0.80 CYP1A2 (0.45) ATP4AATP4BCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9750344 0.80 ATP4A (0.46) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL10919481 0.80 ATP4A (0.68) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL10917761 0.80 ATP4A (0.67) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL11064908 0.80 ATP4A (0.68) ATP4AATP4BCYP1A2CYP3A4CYP2D6

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-0723544-B1 ALKOXY ALKYL CARBAMATES OF IMIDAZO[1,2-a]PYRIDINES BYK GULDEN LOMBERG CHEM FAB (DE) 2001-04-18 EP disclosed
EP-0683780-B1 IMIDAZOPYRIDINES AND THEIR USE IN TREATING GASTROINTESTINAL DISEASES BYK GULDEN LOMBERG CHEM FAB (DE) 2000-04-26 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
US-5665730-A GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-09 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
EP-0683780-A1 IMIDAZOPYRIDINES AND THEIR USE IN TREATING GASTROINTESTINAL DISEASES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1995-11-29 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
WO-1994018199-A1 IMIDAZOPYRIDINES AND THEIR USE IN TREATING GASTROINTESTINAL DISEASES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-08-18 WO disclosed