SCHEMBL14547440

SCHEMBL14547440

CNCCCC[C@H](NC(=O)COCCOCCOCCOCCN=[N+]=[N-])C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.42
▸ C3AR1 Q16581 2/20 0.39
▸ ALB P02768 8/20 0.37
▸ TTR P02766 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.33

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
SCHEMBL13498596 0.90 GLP1R (0.49) GLP1RC3AR1ALB
SCHEMBL13936443 0.90 GLP1R (0.49) GLP1RC3AR1ALB
SCHEMBL13936440 0.90 GLP1R (0.49) GLP1RC3AR1ALB
SCHEMBL13936441 0.90 GLP1R (0.49) GLP1RC3AR1ALB
SCHEMBL13936446 0.90 GLP1R (0.49) GLP1RC3AR1ALB
SCHEMBL13498595 0.81 GLP1R (0.41) GLP1RC3AR1ALBTTR
SCHEMBL24630340 0.79 GLP1R (0.49) GLP1RALBNOD1
SCHEMBL29072106 0.79 GLP1R (0.49) GLP1RALBNOD1
SCHEMBL16142394 0.78 GLP1R (0.52) GLP1RC3AR1ALBNOD1
SCHEMBL21443609 0.77 GLP1R (0.45) GLP1RC3AR1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183228-B2 Anticoagulant antithrombotic dual inhibitors comprising a biotin label MSD OSS B.V. Netherlands (US) 2012-05-22 — — US disclosed
EP-1991271-B1 ANTICOAGULANT ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN LABEL ORGANON NV (NL) 2011-03-09 — — EP disclosed
WO-2007042469-A2 ANTICOAGULANT ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN LABEL N.V. ORGANON (NL) 2007-04-19 — — WO disclosed
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