SCHEMBL13475008

SCHEMBL13475008

CC(=O)NCCCC[C@H](NC(=O)[C@@H](C)CCCCNC(=O)CCCC(=O)NCCOCCOCC(=O)NCCCC[C@H](C)C(N)=O)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.47
▸ SIRT5 Q9NXA8 2/20 0.44
▸ ALB P02768 2/20 0.43
▸ FOLH1 Q04609 2/20 0.35
▸ TLR2 O60603 2/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ AR P10275 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CCKAR P32238 2/20 0.34
▸ CCKBR P32239 2/20 0.34

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
SCHEMBL12743486 0.92 GLP1R (0.49) GLP1RSIRT5ALBTLR2CCKAR
SCHEMBL12147613 0.92 GLP1R (0.47) GLP1RSIRT5ALBTLR2CCKAR
SCHEMBL12767745 0.92 GLP1R (0.51) GLP1RSIRT5ALBTLR2ESR1
SCHEMBL12972408 0.92 GLP1R (0.49) GLP1RSIRT5ALBTLR2CCKAR
SCHEMBL13475034 0.90 GLP1R (0.56) GLP1RSIRT5ALBTLR2CCKAR
SCHEMBL12147610 0.89 GLP1R (0.45) GLP1RSIRT5ALBTLR2ESR1
SCHEMBL12147600 0.87 GLP1R (0.48) GLP1RALB
SCHEMBL12064338 0.87 GLP1R (0.41) GLP1RSIRT5ALBFOLH1ADRA1A
SCHEMBL14422365 0.85 GLP1R (0.42) GLP1RALBTLR2CCKARCCKBR
SCHEMBL16350406 0.85 GLP1R (0.46) GLP1RALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666979-B2 polyvalent targeting ligands that bind to cells used for diagnosis of diseases sensitivity to angiogenesis factor BRACCO INTERNATIONAL B.V. (NL) 2010-02-23 — — US disclosed
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