SCHEMBL1815740

SCHEMBL1815740

CNc1cccc(CCN)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.53
PDE10A Q9Y233 1/20 0.48
HRH1 P35367 1/20 0.42
KCNH2 Q12809 2/20 0.42
SCN5A Q14524 1/20 0.42
ITGB3 P05106 7/20 0.39
ITGAV P06756 7/20 0.39
ITGB6 P18564 1/20 0.39
NCF1 P14598 1/20 0.38
ITGB1 P05556 5/20 0.38
ITGA5 P08648 5/20 0.38
NR3C2 P08235 1/20 0.38
ITGB5 P18084 3/20 0.37
TAAR1 Q96RJ0 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL30336032 0.89 APP (0.55) APPPDE10AHRH1KCNH2SCN5A
SCHEMBL19514887 0.89 APP (0.55) APPPDE10AHRH1KCNH2SCN5A
SCHEMBL29907615 0.84 APP (0.47) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL5631959 0.84 APP (0.47) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL7797589 0.82 APP (0.54) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL852472 0.81 APP (0.53) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL6220219 0.81 APP (0.53) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL522064 0.79 HRH1 (0.56) HRH1KCNH2TAAR1NOS1NOS2
SCHEMBL12705275 0.78 APP (0.80) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL6602310 0.78 KCNH2 (0.55) APPPDE10AKCNH2SCN5ANCF1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488513-B1 2,6-Diaminopyridine compounds for treating diseases associated with amyloid proteins or for treating ocular diseases AC IMMUNE SA (CH) 2017-12-27 EP disclosed
WO-2011060394-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2011-05-19 WO disclosed
WO-2011060394-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2011-05-19 WO disclosed
WO-2011060395-A1 CYCLIC UREAS USEFUL AS HIV INHIBITORS SCHERING CORPORATION (US) 2011-05-19 WO disclosed
WO-2011060395-A1 CYCLIC UREAS USEFUL AS HIV INHIBITORS SCHERING CORPORATION (US) 2011-05-19 WO disclosed
WO-2010057101-A2 COMPOUNDS USEFUL AS HIV BLOCKERS SCHERING CORPORATION (US) 2010-05-20 WO disclosed
WO-2010057101-A2 COMPOUNDS USEFUL AS HIV BLOCKERS SCHERING CORPORATION (US) 2010-05-20 WO disclosed