SCHEMBL9684286

SCHEMBL9684286

CC(CCO)c1ccc(C[C@@H](C)NCC(O)COc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.61
ADRB1 P08588 11/20 0.61
ADRB2 P07550 8/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL9684291 1.00 ADRB3 (0.61) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL9685362 0.85 ADRB3 (0.60) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL9685356 0.85 ADRB3 (0.60) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL10873688 0.84 ADRB3 (0.68) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL10873682 0.84 ADRB3 (0.68) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL10873694 0.84 ADRB3 (0.68) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL9684040 0.83 ADRB3 (0.87) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL9685312 0.83 ADRB3 (0.87) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL9684048 0.83 ADRB3 (0.87) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL10871762 0.82 ADRB2 (0.76) ADRB3ADRB1ADRB2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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