SCHEMBL13077501

SCHEMBL13077501

CCCC(=O)Nc1ccc(OCC(CN(C(=O)CCCON(O)O)C(C)C)OC(=O)CCCON(O)O)c(C(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ ADRB2 P07550 2/20 0.51
▸ ADRB1 P08588 2/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ KCNH2 Q12809 1/20 0.37
▸ ABCB1 P08183 2/20 0.36
▸ MCHR1 Q99705 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ PTPRC P08575 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ESRRA P11474 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.31

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
SCHEMBL13077702 0.90 ADRB2 (0.61) LMNAADRB2ADRB1SLC22A1HIF1A
SCHEMBL13077699 0.88 ADRB2 (0.49) LMNAADRB2ADRB1SLC22A1HIF1A
SCHEMBL13077479 0.87 ADRB2 (0.64) LMNAADRB2ADRB1SLC22A1HIF1A
SCHEMBL13077701 0.81 ADRB2 (0.59) LMNAADRB2ADRB1SLC22A1HIF1A
SCHEMBL13077703 0.78 ADRB2 (0.62) LMNAADRB2ADRB1SLC22A1HIF1A
SCHEMBL13077480 0.78 ADRB2 (0.51) LMNAADRB2ADRB1SLC22A1HIF1A
SCHEMBL14571123 0.76 ADRB2 (0.45) LMNAADRB2ADRB1SLC22A1HIF1A
SCHEMBL13077340 0.75 NR2E1 (0.39) LMNAADRB2ADRB1SLC22A1KCNH2
SCHEMBL13040049 0.75 LMNA (0.62) LMNAADRB2ADRB1SLC22A1HIF1A
SCHEMBL13077497 0.74 ADRB2 (0.58) LMNAADRB2ADRB1SLC22A1HIF1A

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-7825263-B2 Nitrooxyderivatives of carvedilol and other beta blockers as antihypertensive NICOX S.A. (FR) 2010-11-02 — — US disclosed
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