SCHEMBL13076998

SCHEMBL13076998

COc1ccccc1OCCNCC(COc1cccc2[nH]c3ccccc3c12)OC(=O)CSCCON(O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 8/20 0.61
▸ DRD2 P14416 3/20 0.61
▸ MAPT P10636 2/20 0.61
▸ TLR4 O00206 2/20 0.61
▸ DNM1 Q05193 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ HTR1A P08908 2/20 0.61
▸ ADRA1D P25100 2/20 0.61
▸ ADRA1A P35348 2/20 0.61
▸ ADRB3 P13945 2/20 0.61
▸ SLC22A2 O15244 1/20 0.61
▸ SLC22A1 O15245 1/20 0.61
▸ MLNR O43193 1/20 0.61
▸ NR1I2 O75469 1/20 0.61
▸ KCNK2 O95069 1/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ APP P05067 1/20 0.61
▸ ABCB1 P08183 1/20 0.61
▸ ADRB1 P08588 1/20 0.61
▸ ADRA2A P08913 1/20 0.61

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
SCHEMBL13040034 0.89 ADRB2 (0.58) ADRB2DRD2MAPTTLR4DNM1
SCHEMBL13077075 0.88 ADRB2 (0.63) ADRB2DRD2MAPTTLR4DNM1
SCHEMBL13077008 0.87 ADRB2 (0.61) ADRB2DRD2MAPTTLR4DNM1
SCHEMBL13077003 0.85 ADRB2 (0.45) ADRB2DRD2MAPTTLR4DNM1
SCHEMBL13077007 0.85 ADRB2 (0.62) ADRB2DRD2MAPTTLR4DNM1
SCHEMBL1326738 0.84 ADRB2 (0.74) ADRB2DRD2MAPTTLR4DNM1
SCHEMBL13077070 0.82 ADRB2 (0.61) ADRB2DRD2MAPTTLR4DNM1
SCHEMBL13077011 0.82 ADRB2 (0.61) ADRB2DRD2MAPTTLR4DNM1
SCHEMBL13077345 0.82 ADRB2 (0.61) ADRB2DRD2MAPTTLR4DNM1
SCHEMBL13077073 0.81 ADRB2 (0.59) ADRB2DRD2MAPTTLR4DNM1

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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