SCHEMBL11468576

SCHEMBL11468576

COCCc1ccc(OCC(O)CNC(C)Cc2ccc(O)cc2)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 13/20 0.58
▸ ADRB3 P13945 8/20 0.58
▸ ADRB1 P08588 5/20 0.58
▸ CYP2D6 P10635 2/20 0.49
▸ ADRA1A P35348 2/20 0.49
▸ NR3C1 P04150 1/20 0.49
▸ CYP2J2 P51589 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ CYP3A4 P08684 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ PTGS1 P23219 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ MC4R P32245 1/20 0.44

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
SCHEMBL11476188 0.88 ADRB3 (0.58) ADRB2ADRB3ADRB1CYP2D6ADRA1A
SCHEMBL11507196 0.86 ADRB2 (0.66) ADRB2ADRB3ADRB1CYP2D6ADRA1A
SCHEMBL11465951 0.81 ADRB3 (0.54) ADRB2ADRB3ADRB1CYP2D6ADRA1A
SCHEMBL11509194 0.80 ADRB2 (0.57) ADRB2ADRB1CYP2D6ADRA1ANR3C1
SCHEMBL11522642 0.76 ADRB3 (0.70) ADRB2ADRB3ADRB1CYP2D6ADRA1A
SCHEMBL11310357 0.75 ADRB2 (1.00) ADRB2ADRB3ADRB1CYP2D6ADRA1A
SCHEMBL11506652 0.74 ADRB2 (0.65) ADRB2ADRB1CYP2D6ADRA1ANR3C1
SCHEMBL11522665 0.74 ADRB3 (0.69) ADRB2ADRB3ADRB1CYP2D6CYP3A4
SCHEMBL2615170 0.73 ADRB2 (0.66) ADRB2ADRB3ADRB1CYP2D6ADRA1A
SCHEMBL11506733 0.73 ADRB2 (0.66) ADRB2ADRB3ADRB1CYP2D6ADRA1A

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-0011295-A1 Yellow monoazo dyes of the 2-hydroxydibenzofuran series; their preparation and use for dyeing and printing synthetic hydrophobic fibres Montedison S.p.A. (IT) 1980-05-28 — — EP disclosed
EP-0007294-A2 Membrane stabilizing compounds having beta-receptor blocking activity, their preparation, method for treatment of arrhythmic conditions, and pharmaceutical preparations containing same Aktiebolaget Hässle (SE) 1980-01-23 — — EP disclosed
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