SCHEMBL9762734

SCHEMBL9762734

CC(=O)Nc1ccc(/C=C\COCCCCCCNCC(O)c2ccc(O)c(CO)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.64
ADRB3 P13945 16/20 0.64
ADRB1 P08588 15/20 0.62

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
SCHEMBL9762750 1.00 ADRB2 (0.64) ADRB2ADRB3ADRB1
SCHEMBL9762906 0.88 ADRB2 (0.66) ADRB2ADRB3ADRB1
SCHEMBL9762914 0.88 ADRB2 (0.66) ADRB2ADRB3ADRB1
SCHEMBL9762577 0.84 ADRB2 (0.79) ADRB2ADRB3ADRB1
SCHEMBL10698641 0.80 ADRB2 (0.72) ADRB2ADRB3ADRB1
SCHEMBL28044430 0.79 ADRB2 (0.85) ADRB2ADRB3ADRB1
SCHEMBL6003049 0.78 ADRB2 (0.69) ADRB2ADRB3ADRB1
SCHEMBL9763332 0.77 ADRB2 (0.75) ADRB2ADRB3ADRB1
SCHEMBL9763440 0.77 ADRB2 (0.69) ADRB2ADRB3ADRB1
Acetic Acid SCHEMBL927939 0.77 ADRB2 (1.00) ADRB2ADRB3ADRB1

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-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed