SCHEMBL13077699

SCHEMBL13077699

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.49
▸ ADRB1 P08588 2/20 0.49
▸ SLC22A1 O15245 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ KCNH2 Q12809 1/20 0.38
▸ PSMB5 P28074 8/20 0.36
▸ ABCB1 P08183 2/20 0.35
▸ MCHR1 Q99705 1/20 0.33
▸ PTPRC P08575 2/20 0.32
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ESRRA P11474 1/20 0.31
▸ CDYL Q9Y232 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
SCHEMBL13077701 0.91 ADRB2 (0.59) ADRB2ADRB1SLC22A1LMNAHIF1A
SCHEMBL13077501 0.88 LMNA (0.51) ADRB2ADRB1SLC22A1LMNAHIF1A
SCHEMBL13077703 0.88 ADRB2 (0.62) ADRB2ADRB1SLC22A1LMNAHIF1A
SCHEMBL14571123 0.86 ADRB2 (0.45) ADRB2ADRB1SLC22A1LMNAHIF1A
SCHEMBL13077702 0.81 ADRB2 (0.61) ADRB2ADRB1SLC22A1LMNAHIF1A
SCHEMBL13040052 0.79 ADRB2 (0.56) ADRB2ADRB1SLC22A1LMNAHIF1A
SCHEMBL13077480 0.78 ADRB2 (0.51) ADRB2ADRB1SLC22A1LMNAHIF1A
SCHEMBL13077479 0.78 ADRB2 (0.64) ADRB2ADRB1SLC22A1LMNAHIF1A
SCHEMBL13040051 0.75 ADRB2 (0.60) ADRB2ADRB1SLC22A1LMNAHIF1A
SCHEMBL13077344 0.75 TSHR (0.40) ADRB2ADRB1SLC22A1LMNAKDM4E

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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