SCHEMBL10488100

SCHEMBL10488100

CSc1ccc(CCOCCCCCC(C)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.53
ADRB2 P07550 3/20 0.51
CHRM3 P20309 1/20 0.51

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
SCHEMBL10488552 0.85 ADRB2 (0.64) ADRB3ADRB2CHRM3
SCHEMBL10867544 0.84 ADRB2 (0.38) ADRB3ADRB2CHRM3
SCHEMBL2054532 0.80 ADRB3 (0.64) ADRB3ADRB2
SCHEMBL965548 0.78 ADRB3 (0.62) ADRB3ADRB2
SCHEMBL10488537 0.76 ADRB2 (0.61) ADRB3ADRB2CHRM3
SCHEMBL10477764 0.76 ADRB2 (0.55) ADRB3ADRB2
SCHEMBL10488196 0.74 ADRB2 (0.65) ADRB3ADRB2CHRM3
SCHEMBL4460236 0.73 ADRB2 (0.55) ADRB3ADRB2
SCHEMBL10706286 0.73 ADRB2 (0.66) ADRB3ADRB2CHRM3
SCHEMBL4884668 0.73 ADRB3 (0.79) ADRB3ADRB2

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
US-4853382-A TREATING ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
EP-0178919-B1 AMINOPHENOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1988-12-21 EP disclosed
US-4730008-A STIMULANT FOR BETA-ADRENORECEPTORS GLAXO GROUP LIMITED (GB) 1988-03-08 US disclosed