SCHEMBL10488154

SCHEMBL10488154

CCCN(CCC)C(=O)c1ccc(CCCOCCCCCCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.61
CHRM3 P20309 3/20 0.61
ADRB3 P13945 17/20 0.55
ADRB1 P08588 10/20 0.54

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
SCHEMBL10488200 0.92 ADRB2 (0.62) ADRB2CHRM3ADRB3ADRB1
SCHEMBL10488222 0.92 ADRB2 (0.55) ADRB2CHRM3ADRB3ADRB1
SCHEMBL10488179 0.87 ADRB2 (0.60) ADRB2CHRM3ADRB3ADRB1
SCHEMBL10706286 0.87 ADRB2 (0.66) ADRB2CHRM3ADRB3ADRB1
SCHEMBL10488210 0.83 ADRB2 (0.62) ADRB2CHRM3ADRB3ADRB1
SCHEMBL10488196 0.83 ADRB2 (0.65) ADRB2CHRM3ADRB3ADRB1
SCHEMBL9760113 0.82 ADRB3 (0.55) ADRB2CHRM3ADRB3ADRB1
SCHEMBL10488093 0.82 ADRB2 (0.58) ADRB2CHRM3ADRB3ADRB1
SCHEMBL10488552 0.82 ADRB2 (0.64) ADRB2CHRM3ADRB3ADRB1
SCHEMBL10488537 0.82 ADRB2 (0.61) ADRB2CHRM3ADRB3ADRB1

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
US-4853382-A TREATING ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
US-4730008-A STIMULANT FOR BETA-ADRENORECEPTORS GLAXO GROUP LIMITED (GB) 1988-03-08 US disclosed