SCHEMBL7499841

SCHEMBL7499841

CCOC(=O)c1c(C)nc2c(OCc3c(C)cccc3C)cc(C)cn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAPK1 P28482 3/20 0.47
RAB9A P51151 2/20 0.47
HCRTR1 O43613 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL15663607 0.91 GUCY1B2 (0.49) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL15671363 0.86 GUCY1B2 (0.46) SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL15663587 0.86 MAPK1 (0.50) SMN1; SMN2CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL15663756 0.85 SMN1; SMN2 (0.45) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL15665422 0.83 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL15812415 0.82 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL15664000 0.82 GUCY1B2 (0.49) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL17229122 0.81 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL15671432 0.81 GUCY1B2 (0.41) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL15664892 0.81 GUCY1B2 (0.49) SMN1; SMN2MAPK1RAB9AHCRTR1TP53

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