SCHEMBL7797589

SCHEMBL7797589

CCCc1cccc(NC)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.54
PDE10A Q9Y233 1/20 0.49
KCNH2 Q12809 2/20 0.47
SCN5A Q14524 1/20 0.47
ITGB3 P05106 5/20 0.40
ITGAV P06756 5/20 0.40
ITGB6 P18564 1/20 0.40
NCF1 P14598 1/20 0.39
ITGB1 P05556 4/20 0.38
ITGA5 P08648 4/20 0.38
ITGB5 P18084 2/20 0.38
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6602310 0.83 KCNH2 (0.55) APPPDE10AKCNH2SCN5ANCF1
SCHEMBL1815740 0.82 APP (0.53) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL6220219 0.82 APP (0.53) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL852472 0.82 APP (0.53) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL14103940 0.80 APP (0.48) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL2522650 0.80 KCNH2 (0.67) KCNH2KDM4EALDH1A1GAAHPGD
SCHEMBL30336032 0.79 APP (0.55) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL19514887 0.79 APP (0.55) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL12705275 0.79 APP (0.80) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL20971411 0.78 APP (0.47) APPPDE10AKCNH2SCN5AITGB3

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
US-7368566-B2 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION (US) 2008-05-06 US disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed