SCHEMBL9684048

SCHEMBL9684048

CC(Cc1ccc(O)cc1)NCC(O)COc1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.87
ADRB2 P07550 8/20 0.87
ADRB1 P08588 8/20 0.87
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP2D6 P10635 2/20 0.63
SLC6A2 P23975 2/20 0.62
PTGS1 P23219 1/20 0.62
HIF1A Q16665 2/20 0.54
CYP1A2 P05177 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54

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
SCHEMBL9684040 1.00 ADRB3 (0.87) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL9685312 1.00 ADRB3 (0.87) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL11310357 0.93 ADRB2 (1.00) ADRB3ADRB2ADRB1CYP2D6SLC6A2
SCHEMBL10872071 0.93 ADRB2 (0.76) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL10871762 0.93 ADRB2 (0.76) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL10873688 0.88 ADRB3 (0.68) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL10873682 0.88 ADRB3 (0.68) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL10873694 0.88 ADRB3 (0.68) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL11226058 0.88 SLC6A2 (0.71) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL11218637 0.87 ADRB3 (0.88) ADRB3ADRB2ADRB1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 EP claimed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP claimed
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 EP disclosed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP disclosed