SCHEMBL1683036

SCHEMBL1683036

NCCC(=O)NCCNCCc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.71
ABCB11 O95342 2/20 0.52
ADRB1 P08588 1/20 0.50
DRD2 P14416 1/20 0.50
PDE4A P27815 1/20 0.50

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
SCHEMBL4443114 0.84 ADRB2 (0.68) ADRB2ABCB11
SCHEMBL1683034 0.84 ADRB2 (0.59) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL4434958 0.84 ADRB2 (0.67) ADRB2ABCB11
SCHEMBL2211009 0.84 ADRB2 (0.67) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL1827610 0.83 ADRB2 (0.66) ADRB2ABCB11ADRB1DRD2
SCHEMBL2211014 0.82 ADRB2 (0.65) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL1827166 0.81 ADRB2 (0.63) ADRB2ABCB11ADRB1DRD2
Hydrochloric Acid SCHEMBL7852828 0.80 ADRB2 (0.70) ADRB2ABCB11ADRB1DRD2PDE4A
Bromide SCHEMBL1825951 0.80 ADRB2 (0.62) ADRB2ABCB11ADRB1DRD2
SCHEMBL8879323 0.80 ADRB2 (0.61) ADRB2ABCB11ADRB1DRD2PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341968-A1 A BREATH ACTIVATED INHALER AstraZeneca AB (SE) 2011-07-13 EP disclosed
EP-2334358-A1 INHALATION DEVICE AND METHOD OF DISPENSING MEDICAMENT AstraZeneca AB (SE) 2011-06-22 EP disclosed
EP-2303266-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2011-04-06 EP disclosed