SCHEMBL9500491

SCHEMBL9500491

OCc1cc(C(O)CNCCCCCCOCCSc2ccc3ccccc3c2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.67
▸ ADRB1 P08588 13/20 0.67
▸ ADRB3 P13945 12/20 0.67
▸ SLC6A2 P23975 2/20 0.67
▸ HTR2A P28223 2/20 0.67
▸ SLC6A4 P31645 2/20 0.67
▸ ADRA1A P35348 2/20 0.67
▸ SLC6A3 Q01959 2/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ TP53 P04637 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ HTR1A P08908 1/20 0.67
▸ CHRM5 P08912 1/20 0.67
▸ DRD2 P14416 1/20 0.67
▸ ADRA2B P18089 1/20 0.67
▸ DRD4 P21917 1/20 0.67
▸ FPR3 P25089 1/20 0.67

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
SCHEMBL10697959 0.87 ADRB2 (0.75) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL9499793 0.86 ADRB2 (0.74) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL28044430 0.85 ADRB2 (0.85) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL10697732 0.83 ADRB2 (0.79) ADRB2ADRB1ADRB3SLC6A2HTR2A
Bromide SCHEMBL10699615 0.82 ADRB2 (0.75) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL10697568 0.82 ADRB2 (0.80) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL30142619 0.81 ADRB2 (0.79) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL9499929 0.81 ADRB2 (0.77) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL4454918 0.81 ADRB2 (0.96) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL14017126 0.81 ADRB2 (0.96) ADRB2ADRB1ADRB3SLC6A2HTR2A

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-0317206-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-04-28 — — EP disclosed
EP-0317206-A2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-05-24 — — EP disclosed
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