SCHEMBL4718973

SCHEMBL4718973

O=c1[nH]c2c(O)ccc(C(O)(O)CNCCc3cccc(CCNCCc4ccccc4F)c3)c2s1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.62
ADRB1 P08588 13/20 0.62
ADRA1D P25100 11/20 0.62
DRD2 P14416 10/20 0.62
DRD3 P35462 2/20 0.48

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
SCHEMBL4790517 0.92 ADRB2 (0.69) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4719693 0.88 ADRB2 (0.66) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4712112 0.88 ADRB2 (0.59) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4789939 0.87 ADRB2 (0.64) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL4790455 0.87 ADRB2 (0.59) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL4791659 0.86 ADRB2 (0.63) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4716723 0.84 ADRB2 (0.61) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4716861 0.84 ADRB2 (0.69) ADRB2ADRB1ADRA1DDRD2
SCHEMBL4718977 0.83 ADRB2 (0.66) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL4714211 0.83 ADRB2 (0.69) ADRB2ADRB1ADRA1DDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed