SCHEMBL6539169

SCHEMBL6539169

O=[N+]([O-])c1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 12/20 0.72
ADRB3 P13945 12/20 0.72
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
ADRB2 P07550 2/20 0.54
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL6539290 0.88 ADRB3 (0.79) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL7044140 0.85 ADRB3 (0.73) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6478914 0.83 ADRB3 (0.71) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL7041021 0.83 ADRB3 (0.71) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6478911 0.83 ADRB3 (0.71) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6540041 0.83 ADRB1 (0.68) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL7041978 0.83 ADRB3 (0.74) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL7044333 0.83 ADRB3 (0.71) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL7039822 0.83 ADRB3 (0.74) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6493585 0.83 ADRB3 (0.59) ADRB1ADRB3MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6826033-B2 BETA 3 ADRENERGIC RECEPTOR AGONISTS; TREATMENT OF POLLAKIURIA, URINARY INCONTINENCE, OBESITY OR DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-20040037022-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-02-26 US disclosed
WO-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 WO disclosed