SCHEMBL9763301

SCHEMBL9763301

CCCS(=O)(=O)Nc1ccc(CCOCCCCCCN(CC(=O)c2ccc(O)c(CO)c2)Cc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 0.37
▸ ADRB1 P08588 12/20 0.37
▸ ADRB3 P13945 12/20 0.37
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ FPR3 P25089 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL9763623 0.96 AR (0.38) ADRB2ADRB1ADRB3CA12CA1
SCHEMBL9763349 0.91 ADRB2 (0.44) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL9763657 0.87 AR (0.38) ADRB2ADRB1ADRB3MAOB
SCHEMBL9762754 0.86 LIMK2 (0.44) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL9763053 0.85 ADRB2 (0.41) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL9762641 0.85 CCR5 (0.41) ADRB2ADRB1ADRB3KDM4EHTR1A
Bromide SCHEMBL9762763 0.84 ADRB2 (0.43) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL9763274 0.83 ADRB2 (0.39) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL9763316 0.81 ADRB2 (0.47) ADRB2ADRB1ADRB3
SCHEMBL9763473 0.80 ADRB2 (0.41) ADRB2ADRB1ADRB3CA12CA1

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
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