SCHEMBL1827610

SCHEMBL1827610

O=C(CCNCCc1cccc(F)c1)NCCNCCc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.66
ABCB11 O95342 1/20 0.49
ADRB1 P08588 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA1D P25100 1/20 0.49

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
SCHEMBL1827166 0.98 ADRB2 (0.63) ADRB2ABCB11ADRB1DRD2ADRA1D
Bromide SCHEMBL1825951 0.97 ADRB2 (0.62) ADRB2ABCB11ADRB1DRD2ADRA1D
SCHEMBL4443114 0.91 ADRB2 (0.68) ADRB2ABCB11
SCHEMBL2211009 0.89 ADRB2 (0.67) ADRB2ABCB11ADRB1DRD2
SCHEMBL2211014 0.87 ADRB2 (0.65) ADRB2ABCB11ADRB1DRD2
SCHEMBL27810572 0.87 ADRB2 (0.56) ADRB2ABCB11ADRB1DRD2ADRA1D
SCHEMBL435245 0.84 ADRB2 (0.56) ADRB2ABCB11ADRB1DRD2ADRA1D
SCHEMBL17101482 0.84 ADRB2 (0.51) ADRB2ABCB11ADRB1DRD2ADRA1D
Trifluoroacetic Acid SCHEMBL2208487 0.84 ADRB2 (0.49) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4434958 0.83 ADRB2 (0.67) ADRB2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341966-A1 INHALER WITH AUDIBLE INDICATOR MEANS AstraZeneca AB (SE) 2011-07-13 EP claimed
US-20110253138-A1 INHALER WITH AUDIBLE INDICATOR MEANS ASTRAZENECA AB (SE) 2011-10-20 US disclosed
EP-2121642-B1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2011-07-27 EP disclosed
EP-2315589-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A beta2-ADRENOCEPTOR AGONIST AstraZeneca AB (SE) 2011-05-04 EP disclosed