SCHEMBL7495209

SCHEMBL7495209

CCOC(=O)c1c(C)nc2c(OCc3c(C)cccc3CC)cccn12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
PSEN1 P49768 3/20 0.59
PSEN2 P49810 3/20 0.59
APH1B Q8WW43 3/20 0.59
NCSTN Q92542 3/20 0.59
APH1A Q96BI3 3/20 0.59
PSENEN Q9NZ42 3/20 0.59
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
GUCY1B2 O75343 12/20 0.51
GUCY1A2 P33402 12/20 0.51
GUCY1A1 Q02108 12/20 0.51
GUCY1B1 Q02153 12/20 0.51
HCRTR1 O43613 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL15630703 0.86 GUCY1B2 (0.66) SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL7216941 0.84 CYP3A4 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7500582 0.84 SMN1; SMN2 (0.61) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL17018450 0.83 SMN1; SMN2 (0.74) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL15630794 0.83 GUCY1B2 (0.65) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL14231969 0.83 GUCY1B2 (0.59) SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL11067466 0.82 GUCY1B2 (0.65) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL15630778 0.82 SMN1; SMN2 (0.60) SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL7496145 0.82 ATP4A (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14231967 0.82 GUCY1B2 (0.58) SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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-0971920-B1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
US-6265415-B1 ANTIULCER AGENT ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-0971920-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION Astra Aktiebolag (SE) 2000-01-19 EP disclosed
WO-1998037080-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRA AKTIEBOLAG (SE) 1998-08-27 WO disclosed